REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1fw8_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKYSLAPVAK ELQSLLGKDV TFLNDCVGPE VEAAVKASAP GSVILLENLR DATA SEQUENCE YHIEEEGSRK VDGQKVKASK EDVQKFRHEL SSLADVYIND AFGTAHRAHS DATA SEQUENCE SMVGFDLPQR AAGFLLEKEL KYFGKALENP TRPFLAILGG AKVADKIQLI DATA SEQUENCE DNLLDKVDSI IIGGGMAFTF KKVLENTEIG DSIFDKAGAE IVPKLMEKAK DATA SEQUENCE AKGVEVVLPV DFIIADAFSA DANTKTVTDK EGIPAGWQGL DNGPESRKLF DATA SEQUENCE AATVAKAKTI VWNGPPGVFE FEKFAAGTKA LLDEVVKSSA AGNTVIIGGG DATA SEQUENCE DTATVAKKYG VTDKISHVST GGGASLELLE GKELPGVAFL SEKKSLSSKL DATA SEQUENCE SVQDLDLKDK RVFIRVDFNV PLDGKKITSN QRIVAALPTI KYVLEHHPRY DATA SEQUENCE VVLASHLGRP NGERN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.614 174.600 0.024 0.000 1.055 1 S CA 0.000 58.228 58.200 0.047 0.000 1.107 1 S CB 0.000 63.261 63.200 0.101 0.000 0.593 2 K N 2.169 122.524 120.400 -0.074 0.000 2.044 2 K HA -0.109 3.363 4.320 -1.413 0.000 0.210 2 K C 0.279 176.676 176.600 -0.338 0.000 1.049 2 K CA 2.116 58.237 56.287 -0.277 0.000 0.927 2 K CB -0.250 31.961 32.500 -0.482 0.000 0.713 2 K HN 0.699 nan 8.250 nan 0.000 0.443 3 Y N 0.365 120.774 120.300 0.181 0.000 2.683 3 Y HA 0.279 3.980 4.550 -1.415 0.000 0.297 3 Y C 0.201 176.154 175.900 0.088 0.000 1.147 3 Y CA -0.466 57.721 58.100 0.145 0.000 1.274 3 Y CB 0.354 38.919 38.460 0.175 0.000 1.143 3 Y HN -0.092 nan 8.280 nan 0.000 0.527 4 S N 0.509 116.346 115.700 0.228 0.000 2.549 4 S HA 0.181 3.803 4.470 -1.413 0.000 0.279 4 S C 0.990 175.623 174.600 0.055 0.000 1.321 4 S CA -0.373 57.936 58.200 0.182 0.000 1.054 4 S CB 0.442 63.766 63.200 0.206 0.000 0.899 4 S HN 0.537 nan 8.310 nan 0.000 0.497 5 L N 4.303 125.569 121.223 0.071 0.000 2.645 5 L HA 0.113 3.605 4.340 -1.413 0.000 0.235 5 L C 2.196 178.762 176.870 -0.506 0.000 1.150 5 L CA 0.173 55.003 54.840 -0.017 0.000 0.911 5 L CB -0.649 41.558 42.059 0.247 0.000 1.077 5 L HN 0.880 nan 8.230 nan 0.000 0.438 6 A N 1.478 123.871 122.820 -0.711 0.000 1.908 6 A HA -0.112 3.360 4.320 -1.413 0.000 0.218 6 A C -0.088 177.169 177.584 -0.546 0.000 1.181 6 A CA 1.478 52.903 52.037 -1.021 0.000 0.627 6 A CB -1.492 17.215 19.000 -0.488 0.000 0.818 6 A HN 0.299 nan 8.150 nan 0.000 0.445 7 P HA -0.065 nan 4.420 nan 0.000 0.219 7 P C 1.583 178.758 177.300 -0.208 0.000 1.150 7 P CA 1.286 64.265 63.100 -0.201 0.000 0.814 7 P CB -0.211 31.410 31.700 -0.131 0.000 0.787 8 V N 1.213 120.991 119.914 -0.228 0.000 2.295 8 V HA -0.215 3.057 4.120 -1.413 0.000 0.246 8 V C 2.878 178.829 176.094 -0.238 0.000 1.049 8 V CA 2.218 64.369 62.300 -0.249 0.000 1.024 8 V CB -1.778 29.919 31.823 -0.210 0.000 0.648 8 V HN 0.094 nan 8.190 nan 0.000 0.447 9 A N -0.265 122.428 122.820 -0.211 0.000 1.940 9 A HA -0.280 3.192 4.320 -1.413 0.000 0.219 9 A C 2.260 179.788 177.584 -0.094 0.000 1.176 9 A CA 2.241 54.226 52.037 -0.086 0.000 0.631 9 A CB -0.454 18.520 19.000 -0.043 0.000 0.814 9 A HN 0.526 nan 8.150 nan 0.000 0.446 10 K N -0.569 119.745 120.400 -0.142 0.000 2.025 10 K HA -0.148 3.324 4.320 -1.413 0.000 0.207 10 K C 2.141 178.686 176.600 -0.092 0.000 1.049 10 K CA 1.610 57.838 56.287 -0.099 0.000 0.933 10 K CB -0.110 32.327 32.500 -0.106 0.000 0.714 10 K HN 0.549 nan 8.250 nan 0.000 0.438 11 E N 0.755 120.880 120.200 -0.126 0.000 2.072 11 E HA -0.159 3.343 4.350 -1.413 0.000 0.191 11 E C 1.770 178.294 176.600 -0.126 0.000 0.985 11 E CA 0.893 57.218 56.400 -0.124 0.000 0.801 11 E CB -0.255 29.353 29.700 -0.154 0.000 0.750 11 E HN 0.137 nan 8.360 nan 0.000 0.452 12 L N 0.893 122.014 121.223 -0.169 0.000 2.131 12 L HA -0.143 3.349 4.340 -1.413 0.000 0.210 12 L C 2.433 179.272 176.870 -0.051 0.000 1.092 12 L CA 1.947 56.701 54.840 -0.143 0.000 0.759 12 L CB -0.542 41.414 42.059 -0.170 0.000 0.903 12 L HN 0.310 nan 8.230 nan 0.000 0.435 13 Q N -1.419 118.358 119.800 -0.037 0.000 2.084 13 Q HA -0.173 3.319 4.340 -1.413 0.000 0.202 13 Q C 2.062 178.056 176.000 -0.010 0.000 0.978 13 Q CA 1.929 57.728 55.803 -0.008 0.000 0.844 13 Q CB 0.064 28.800 28.738 -0.003 0.000 0.898 13 Q HN 0.610 nan 8.270 nan 0.000 0.426 14 S N 0.427 116.112 115.700 -0.024 0.000 2.362 14 S HA -0.080 3.542 4.470 -1.413 0.000 0.221 14 S C 1.707 176.297 174.600 -0.016 0.000 1.032 14 S CA 0.515 58.704 58.200 -0.019 0.000 0.973 14 S CB -0.182 63.003 63.200 -0.026 0.000 0.849 14 S HN 0.248 nan 8.310 nan 0.000 0.465 15 L N 0.866 122.072 121.223 -0.029 0.000 2.261 15 L HA 0.038 3.530 4.340 -1.413 0.000 0.216 15 L C 1.826 178.696 176.870 0.000 0.000 1.114 15 L CA 1.169 55.996 54.840 -0.022 0.000 0.777 15 L CB -0.470 41.562 42.059 -0.045 0.000 0.910 15 L HN 0.243 nan 8.230 nan 0.000 0.440 16 L N -1.283 119.944 121.223 0.005 0.000 2.425 16 L HA 0.355 3.847 4.340 -1.413 0.000 0.215 16 L C 1.628 178.512 176.870 0.023 0.000 1.065 16 L CA 1.083 55.938 54.840 0.025 0.000 0.842 16 L CB -0.339 41.740 42.059 0.035 0.000 1.033 16 L HN 0.303 nan 8.230 nan 0.000 0.474 17 G N 0.432 109.241 108.800 0.015 0.000 2.153 17 G HA2 -0.351 2.761 3.960 -1.413 0.000 0.252 17 G HA3 -0.351 2.761 3.960 -1.413 0.000 0.252 17 G C 0.443 175.355 174.900 0.021 0.000 0.994 17 G CA 0.728 45.838 45.100 0.015 0.000 0.698 17 G HN 0.421 nan 8.290 nan 0.000 0.521 18 K N 0.455 120.870 120.400 0.026 0.000 2.427 18 K HA 0.435 3.907 4.320 -1.413 0.000 0.252 18 K C -0.730 175.890 176.600 0.034 0.000 0.931 18 K CA -0.980 55.326 56.287 0.032 0.000 0.793 18 K CB 1.165 33.689 32.500 0.041 0.000 1.211 18 K HN -0.011 nan 8.250 nan 0.000 0.426 19 D N 2.293 122.713 120.400 0.034 0.000 2.455 19 D HA 0.044 3.836 4.640 -1.413 0.000 0.241 19 D C -0.548 175.780 176.300 0.047 0.000 1.138 19 D CA 0.282 54.304 54.000 0.036 0.000 0.877 19 D CB 1.224 42.044 40.800 0.035 0.000 1.187 19 D HN 0.116 nan 8.370 nan 0.000 0.451 20 V N 3.034 122.980 119.914 0.053 0.000 2.378 20 V HA 0.130 3.402 4.120 -1.413 0.000 0.288 20 V C 0.388 176.538 176.094 0.092 0.000 1.016 20 V CA -0.664 61.681 62.300 0.074 0.000 0.840 20 V CB 1.782 33.656 31.823 0.084 0.000 0.994 20 V HN 0.457 nan 8.190 nan 0.000 0.431 21 T N 6.365 120.966 114.554 0.079 0.000 2.737 21 T HA 0.329 3.831 4.350 -1.413 0.000 0.296 21 T C -0.484 174.290 174.700 0.123 0.000 0.922 21 T CA 0.237 62.382 62.100 0.075 0.000 1.079 21 T CB -0.075 68.800 68.868 0.012 0.000 0.892 21 T HN 0.410 nan 8.240 nan 0.000 0.514 22 F N 5.102 125.061 119.950 0.015 0.000 2.410 22 F HA 0.548 4.227 4.527 -1.413 0.000 0.349 22 F C -0.693 175.124 175.800 0.030 0.000 1.117 22 F CA -1.450 56.565 58.000 0.026 0.000 1.104 22 F CB 0.451 39.471 39.000 0.034 0.000 1.122 22 F HN 0.362 nan 8.300 nan 0.000 0.483 23 L N 6.074 126.816 121.223 -0.801 0.000 2.322 23 L HA 0.346 3.837 4.340 -1.413 0.000 0.279 23 L C 0.553 176.931 176.870 -0.821 0.000 1.036 23 L CA -0.627 53.860 54.840 -0.588 0.000 0.807 23 L CB 1.569 43.440 42.059 -0.312 0.000 1.226 23 L HN 0.625 nan 8.230 nan 0.000 0.433 24 N N 0.384 118.884 118.700 -0.334 0.000 2.515 24 N HA -0.003 3.889 4.740 -1.413 0.000 0.191 24 N C -0.423 175.099 175.510 0.020 0.000 1.182 24 N CA 0.260 53.246 53.050 -0.107 0.000 0.879 24 N CB 0.230 38.736 38.487 0.033 0.000 0.984 24 N HN 0.503 nan 8.380 nan 0.000 0.453 25 D N -1.968 118.417 120.400 -0.025 0.000 2.692 25 D HA 0.188 3.980 4.640 -1.413 0.000 0.303 25 D C -0.243 176.097 176.300 0.067 0.000 1.278 25 D CA -0.554 53.525 54.000 0.132 0.000 0.852 25 D CB 1.044 41.943 40.800 0.164 0.000 1.375 25 D HN 0.080 nan 8.370 nan 0.000 0.453 26 C N -0.475 118.905 119.300 0.134 0.000 3.364 26 C HA 0.597 4.209 4.460 -1.413 0.000 0.340 26 C C 0.520 175.484 174.990 -0.043 0.000 1.336 26 C CA -0.069 58.980 59.018 0.052 0.000 1.778 26 C CB -0.796 27.014 27.740 0.115 0.000 2.398 26 C HN 0.355 nan 8.230 nan 0.000 0.667 27 V N -1.294 118.588 119.914 -0.054 0.000 3.007 27 V HA 1.008 4.280 4.120 -1.413 0.000 0.311 27 V C -0.191 175.901 176.094 -0.003 0.000 1.120 27 V CA 0.086 62.322 62.300 -0.106 0.000 0.980 27 V CB 0.860 32.540 31.823 -0.238 0.000 1.033 27 V HN 1.687 nan 8.190 nan 0.000 0.429 28 G N 2.709 111.504 108.800 -0.008 0.000 2.428 28 G HA2 0.139 3.251 3.960 -1.413 0.000 0.681 28 G HA3 0.139 3.251 3.960 -1.413 0.000 0.681 28 G C -2.401 172.506 174.900 0.012 0.000 1.340 28 G CA -0.067 45.047 45.100 0.022 0.000 0.915 28 G HN 0.678 nan 8.290 nan 0.000 0.645 29 P HA -0.141 nan 4.420 nan 0.000 0.218 29 P C 1.510 178.815 177.300 0.008 0.000 1.154 29 P CA 1.929 65.037 63.100 0.013 0.000 0.872 29 P CB 0.215 31.925 31.700 0.016 0.000 0.790 30 E N -0.734 119.471 120.200 0.009 0.000 2.106 30 E HA -0.125 3.377 4.350 -1.413 0.000 0.192 30 E C 1.777 178.370 176.600 -0.012 0.000 0.984 30 E CA 0.875 57.276 56.400 0.002 0.000 0.806 30 E CB -0.319 29.386 29.700 0.008 0.000 0.750 30 E HN -0.035 nan 8.360 nan 0.000 0.458 31 V N 1.286 121.192 119.914 -0.014 0.000 2.379 31 V HA -0.203 3.069 4.120 -1.413 0.000 0.245 31 V C 1.944 178.017 176.094 -0.035 0.000 1.044 31 V CA 2.040 64.320 62.300 -0.034 0.000 1.036 31 V CB -0.377 31.429 31.823 -0.028 0.000 0.664 31 V HN 0.291 nan 8.190 nan 0.000 0.453 32 E N 0.322 120.512 120.200 -0.016 0.000 2.153 32 E HA -0.169 3.333 4.350 -1.413 0.000 0.194 32 E C 2.239 178.837 176.600 -0.004 0.000 0.988 32 E CA 1.282 57.679 56.400 -0.004 0.000 0.811 32 E CB -0.275 29.428 29.700 0.006 0.000 0.746 32 E HN 0.616 nan 8.360 nan 0.000 0.466 33 A N 1.432 124.249 122.820 -0.006 0.000 1.874 33 A HA 0.058 3.530 4.320 -1.413 0.000 0.214 33 A C 2.393 179.967 177.584 -0.017 0.000 1.189 33 A CA 1.241 53.276 52.037 -0.003 0.000 0.615 33 A CB -0.545 18.455 19.000 0.001 0.000 0.830 33 A HN 0.268 nan 8.150 nan 0.000 0.443 34 A N -0.506 122.294 122.820 -0.034 0.000 1.883 34 A HA -0.048 3.424 4.320 -1.413 0.000 0.217 34 A C 2.251 179.781 177.584 -0.090 0.000 1.186 34 A CA 1.862 53.868 52.037 -0.052 0.000 0.624 34 A CB -1.043 17.920 19.000 -0.062 0.000 0.822 34 A HN 0.377 nan 8.150 nan 0.000 0.444 35 V N 0.171 120.005 119.914 -0.133 0.000 2.295 35 V HA -0.270 3.002 4.120 -1.413 0.000 0.246 35 V C 2.593 178.597 176.094 -0.150 0.000 1.049 35 V CA 2.499 64.634 62.300 -0.274 0.000 1.024 35 V CB -0.529 31.116 31.823 -0.296 0.000 0.648 35 V HN 0.736 nan 8.190 nan 0.000 0.447 36 K N 0.146 120.539 120.400 -0.012 0.000 2.211 36 K HA -0.079 3.393 4.320 -1.413 0.000 0.203 36 K C 1.720 178.352 176.600 0.052 0.000 1.050 36 K CA 1.374 57.704 56.287 0.072 0.000 0.945 36 K CB -0.203 32.333 32.500 0.060 0.000 0.732 36 K HN 0.460 nan 8.250 nan 0.000 0.451 37 A N 0.985 123.812 122.820 0.012 0.000 2.251 37 A HA 0.078 3.550 4.320 -1.413 0.000 0.209 37 A C 0.445 178.037 177.584 0.013 0.000 1.187 37 A CA 0.083 52.129 52.037 0.015 0.000 0.823 37 A CB -0.232 18.771 19.000 0.004 0.000 0.846 37 A HN 0.385 nan 8.150 nan 0.000 0.486 38 S N 0.024 115.726 115.700 0.003 0.000 2.580 38 S HA 0.614 4.236 4.470 -1.413 0.000 0.274 38 S C 0.462 175.101 174.600 0.065 0.000 1.329 38 S CA -0.222 57.984 58.200 0.010 0.000 1.036 38 S CB 1.100 64.267 63.200 -0.056 0.000 0.919 38 S HN 0.908 nan 8.310 nan 0.000 0.515 39 A N 3.157 126.011 122.820 0.057 0.000 2.425 39 A HA 0.509 3.981 4.320 -1.413 0.000 0.242 39 A C -1.963 175.677 177.584 0.093 0.000 1.077 39 A CA -1.560 50.516 52.037 0.063 0.000 0.781 39 A CB -0.721 18.308 19.000 0.049 0.000 1.020 39 A HN 0.777 nan 8.150 nan 0.000 0.494 40 P HA 0.137 nan 4.420 nan 0.000 0.265 40 P C 0.748 178.106 177.300 0.097 0.000 1.193 40 P CA 1.529 64.684 63.100 0.091 0.000 0.765 40 P CB 0.595 32.329 31.700 0.057 0.000 0.823 41 G N 1.912 110.783 108.800 0.118 0.000 2.153 41 G HA2 -0.227 2.885 3.960 -1.413 0.000 0.252 41 G HA3 -0.227 2.885 3.960 -1.413 0.000 0.252 41 G C 0.277 175.250 174.900 0.121 0.000 0.994 41 G CA 0.082 45.251 45.100 0.114 0.000 0.698 41 G HN 0.614 nan 8.290 nan 0.000 0.521 42 S N -1.181 114.607 115.700 0.147 0.000 2.593 42 S HA 0.509 4.131 4.470 -1.413 0.000 0.269 42 S C 0.583 175.254 174.600 0.118 0.000 1.334 42 S CA -0.250 58.016 58.200 0.111 0.000 1.015 42 S CB 2.098 65.347 63.200 0.082 0.000 0.912 42 S HN 0.634 nan 8.310 nan 0.000 0.541 43 V N 3.110 123.072 119.914 0.080 0.000 2.398 43 V HA 0.457 3.729 4.120 -1.413 0.000 0.286 43 V C -0.497 175.626 176.094 0.049 0.000 1.026 43 V CA -0.411 61.934 62.300 0.076 0.000 0.868 43 V CB 0.818 32.687 31.823 0.077 0.000 0.982 43 V HN 0.636 nan 8.190 nan 0.000 0.443 44 I N 5.759 126.342 120.570 0.021 0.000 2.498 44 I HA 0.468 3.790 4.170 -1.413 0.000 0.290 44 I C -0.775 175.348 176.117 0.010 0.000 1.032 44 I CA -0.486 60.805 61.300 -0.015 0.000 1.073 44 I CB 1.928 39.849 38.000 -0.131 0.000 1.251 44 I HN 0.427 nan 8.210 nan 0.000 0.426 45 L N 7.460 128.733 121.223 0.084 0.000 2.298 45 L HA 0.595 4.087 4.340 -1.413 0.000 0.284 45 L C -0.705 176.184 176.870 0.032 0.000 1.013 45 L CA -0.130 54.802 54.840 0.152 0.000 0.824 45 L CB 0.777 43.058 42.059 0.370 0.000 1.221 45 L HN 0.444 nan 8.230 nan 0.000 0.418 46 L N 2.173 123.375 121.223 -0.036 0.000 2.475 46 L HA 0.384 3.876 4.340 -1.413 0.000 0.253 46 L C 0.417 177.243 176.870 -0.073 0.000 1.198 46 L CA -0.613 54.153 54.840 -0.123 0.000 0.814 46 L CB 0.403 42.445 42.059 -0.028 0.000 1.134 46 L HN 0.587 nan 8.230 nan 0.000 0.478 47 E N 0.958 121.085 120.200 -0.121 0.000 2.349 47 E HA 0.016 3.518 4.350 -1.413 0.000 0.265 47 E C -0.144 176.503 176.600 0.078 0.000 1.064 47 E CA -0.245 56.191 56.400 0.060 0.000 0.886 47 E CB 0.542 30.305 29.700 0.104 0.000 1.036 47 E HN 0.446 nan 8.360 nan 0.000 0.413 48 N N 3.454 122.111 118.700 -0.071 0.000 1.923 48 N HA -0.190 3.702 4.740 -1.413 0.000 0.305 48 N C 0.877 176.393 175.510 0.011 0.000 1.339 48 N CA -0.094 52.851 53.050 -0.175 0.000 0.825 48 N CB 0.211 38.320 38.487 -0.631 0.000 1.095 48 N HN 0.539 nan 8.380 nan 0.000 0.498 49 L N 3.430 124.757 121.223 0.174 0.000 2.081 49 L HA -0.221 3.271 4.340 -1.413 0.000 0.212 49 L C 2.058 179.103 176.870 0.293 0.000 1.080 49 L CA 1.424 56.457 54.840 0.321 0.000 0.754 49 L CB -0.247 42.007 42.059 0.324 0.000 0.893 49 L HN 0.613 nan 8.230 nan 0.000 0.433 50 R N -1.174 119.423 120.500 0.161 0.000 2.340 50 R HA -0.082 3.410 4.340 -1.413 0.000 0.215 50 R C 1.160 177.567 176.300 0.178 0.000 1.017 50 R CA 0.012 56.165 56.100 0.088 0.000 1.111 50 R CB -0.029 30.267 30.300 -0.006 0.000 1.049 50 R HN 0.278 nan 8.270 nan 0.000 0.490 51 Y N -0.282 120.066 120.300 0.081 0.000 2.544 51 Y HA 0.036 3.737 4.550 -1.414 0.000 0.286 51 Y C 0.571 176.319 175.900 -0.252 0.000 1.141 51 Y CA 0.088 58.163 58.100 -0.043 0.000 1.299 51 Y CB 0.103 38.557 38.460 -0.010 0.000 1.030 51 Y HN 0.031 nan 8.280 nan 0.000 0.543 52 H N -0.013 119.103 119.070 0.076 0.000 2.481 52 H HA 0.163 3.871 4.556 -1.414 0.000 0.333 52 H C 1.346 176.502 175.328 -0.288 0.000 1.066 52 H CA -0.365 55.592 56.048 -0.151 0.000 1.209 52 H CB 2.035 31.591 29.762 -0.343 0.000 1.445 52 H HN 0.118 nan 8.280 nan 0.000 0.488 53 I N 2.543 123.018 120.570 -0.160 0.000 2.423 53 I HA -0.238 3.084 4.170 -1.413 0.000 0.254 53 I C 1.867 177.826 176.117 -0.263 0.000 1.151 53 I CA 1.325 62.515 61.300 -0.182 0.000 1.421 53 I CB 0.081 38.002 38.000 -0.131 0.000 1.079 53 I HN 0.604 nan 8.210 nan 0.000 0.431 54 E N 0.553 120.515 120.200 -0.396 0.000 2.502 54 E HA -0.214 3.288 4.350 -1.413 0.000 0.194 54 E C 1.494 177.812 176.600 -0.471 0.000 1.062 54 E CA 0.471 56.618 56.400 -0.421 0.000 0.867 54 E CB -0.071 29.419 29.700 -0.349 0.000 0.888 54 E HN 0.628 nan 8.360 nan 0.000 0.510 55 E N 2.422 122.310 120.200 -0.521 0.000 2.016 55 E HA -0.163 3.339 4.350 -1.413 0.000 0.190 55 E C 1.809 178.196 176.600 -0.354 0.000 0.985 55 E CA 1.578 57.831 56.400 -0.245 0.000 0.802 55 E CB -0.083 29.543 29.700 -0.124 0.000 0.762 55 E HN 0.289 nan 8.360 nan 0.000 0.448 56 E N -1.074 118.807 120.200 -0.533 0.000 2.158 56 E HA 0.042 3.544 4.350 -1.413 0.000 0.191 56 E C 1.113 177.473 176.600 -0.401 0.000 0.982 56 E CA 0.734 56.626 56.400 -0.846 0.000 0.823 56 E CB 0.154 29.499 29.700 -0.593 0.000 0.766 56 E HN 0.525 nan 8.360 nan 0.000 0.468 57 G N 1.236 109.874 108.800 -0.270 0.000 2.218 57 G HA2 -0.245 2.867 3.960 -1.413 0.000 0.216 57 G HA3 -0.245 2.867 3.960 -1.413 0.000 0.216 57 G C 0.346 175.166 174.900 -0.134 0.000 0.994 57 G CA 0.341 45.342 45.100 -0.165 0.000 0.637 57 G HN 0.490 nan 8.290 nan 0.000 0.505 58 S N -0.837 114.776 115.700 -0.145 0.000 2.636 58 S HA 0.868 4.490 4.470 -1.413 0.000 0.268 58 S C -0.709 173.826 174.600 -0.108 0.000 1.159 58 S CA 0.212 58.348 58.200 -0.106 0.000 0.815 58 S CB 2.190 65.343 63.200 -0.078 0.000 1.130 58 S HN 1.617 nan 8.310 nan 0.000 0.471 59 R N -0.099 120.352 120.500 -0.081 0.000 2.781 59 R HA 0.627 4.119 4.340 -1.413 0.000 0.268 59 R C -1.901 174.368 176.300 -0.052 0.000 1.047 59 R CA -1.198 54.859 56.100 -0.071 0.000 0.925 59 R CB 1.012 31.270 30.300 -0.070 0.000 1.246 59 R HN 0.642 nan 8.270 nan 0.000 0.456 60 K N 1.112 121.486 120.400 -0.042 0.000 2.413 60 K HA 0.414 3.886 4.320 -1.413 0.000 0.257 60 K C -1.162 175.422 176.600 -0.027 0.000 0.946 60 K CA -0.901 55.367 56.287 -0.032 0.000 0.823 60 K CB 2.613 35.097 32.500 -0.027 0.000 1.109 60 K HN 0.290 nan 8.250 nan 0.000 0.427 61 V N 3.092 122.991 119.914 -0.025 0.000 2.311 61 V HA 0.055 3.327 4.120 -1.413 0.000 0.275 61 V C -0.279 175.805 176.094 -0.017 0.000 1.022 61 V CA -0.629 61.658 62.300 -0.022 0.000 0.830 61 V CB 0.285 32.094 31.823 -0.024 0.000 1.012 61 V HN 1.020 nan 8.190 nan 0.000 0.452 62 D N 3.066 123.457 120.400 -0.014 0.000 2.689 62 D HA -0.141 3.651 4.640 -1.413 0.000 0.237 62 D C 0.973 177.266 176.300 -0.012 0.000 1.148 62 D CA 1.341 55.335 54.000 -0.011 0.000 0.656 62 D CB -1.476 39.317 40.800 -0.011 0.000 1.050 62 D HN 1.547 nan 8.370 nan 0.000 0.426 63 G N -0.881 107.912 108.800 -0.013 0.000 2.168 63 G HA2 -0.408 2.704 3.960 -1.413 0.000 0.263 63 G HA3 -0.408 2.704 3.960 -1.413 0.000 0.263 63 G C 0.086 174.977 174.900 -0.015 0.000 0.977 63 G CA 0.484 45.576 45.100 -0.013 0.000 0.659 63 G HN 0.892 nan 8.290 nan 0.000 0.533 64 Q N 0.130 119.920 119.800 -0.017 0.000 2.368 64 Q HA 0.530 4.022 4.340 -1.413 0.000 0.263 64 Q C 0.340 176.326 176.000 -0.022 0.000 1.009 64 Q CA -0.772 55.020 55.803 -0.018 0.000 0.818 64 Q CB 0.619 29.347 28.738 -0.017 0.000 1.239 64 Q HN 0.326 nan 8.270 nan 0.000 0.464 65 K N 2.374 122.761 120.400 -0.023 0.000 2.401 65 K HA 0.216 3.688 4.320 -1.413 0.000 0.278 65 K C -1.213 175.369 176.600 -0.030 0.000 1.018 65 K CA -0.069 56.201 56.287 -0.028 0.000 0.981 65 K CB 0.611 33.095 32.500 -0.027 0.000 0.933 65 K HN 0.405 nan 8.250 nan 0.000 0.477 66 V N 5.544 125.436 119.914 -0.037 0.000 2.398 66 V HA 0.182 3.454 4.120 -1.413 0.000 0.282 66 V C -0.567 175.498 176.094 -0.047 0.000 1.014 66 V CA -0.788 61.489 62.300 -0.039 0.000 0.838 66 V CB 1.249 33.049 31.823 -0.039 0.000 1.018 66 V HN 0.741 nan 8.190 nan 0.000 0.432 67 K N 3.969 124.342 120.400 -0.044 0.000 2.183 67 K HA 0.802 4.274 4.320 -1.413 0.000 0.274 67 K C 0.207 176.778 176.600 -0.049 0.000 1.009 67 K CA -0.299 55.958 56.287 -0.049 0.000 0.888 67 K CB 1.591 34.067 32.500 -0.041 0.000 1.078 67 K HN 0.731 nan 8.250 nan 0.000 0.459 68 A N 2.645 125.428 122.820 -0.061 0.000 2.351 68 A HA 0.263 3.735 4.320 -1.413 0.000 0.257 68 A C -0.079 177.478 177.584 -0.045 0.000 1.087 68 A CA -0.297 51.705 52.037 -0.058 0.000 0.798 68 A CB 0.265 19.217 19.000 -0.080 0.000 1.033 68 A HN 0.908 nan 8.150 nan 0.000 0.488 69 S N 0.621 116.300 115.700 -0.036 0.000 2.593 69 S HA 0.221 3.843 4.470 -1.413 0.000 0.269 69 S C 0.908 175.492 174.600 -0.026 0.000 1.334 69 S CA 0.097 58.280 58.200 -0.028 0.000 1.015 69 S CB 0.957 64.144 63.200 -0.023 0.000 0.912 69 S HN 0.727 nan 8.310 nan 0.000 0.541 70 K N 0.991 121.378 120.400 -0.021 0.000 2.097 70 K HA -0.085 3.387 4.320 -1.413 0.000 0.206 70 K C 1.760 178.351 176.600 -0.014 0.000 1.049 70 K CA 1.778 58.054 56.287 -0.017 0.000 0.933 70 K CB -0.509 31.983 32.500 -0.014 0.000 0.717 70 K HN 0.759 nan 8.250 nan 0.000 0.442 71 E N 0.533 120.724 120.200 -0.016 0.000 2.047 71 E HA -0.140 3.362 4.350 -1.413 0.000 0.191 71 E C 1.755 178.348 176.600 -0.011 0.000 0.987 71 E CA 1.465 57.855 56.400 -0.017 0.000 0.799 71 E CB -0.178 29.509 29.700 -0.021 0.000 0.752 71 E HN 0.305 nan 8.360 nan 0.000 0.449 72 D N -0.105 120.290 120.400 -0.010 0.000 2.123 72 D HA -0.130 3.662 4.640 -1.413 0.000 0.196 72 D C 1.990 178.304 176.300 0.023 0.000 0.992 72 D CA 0.878 54.880 54.000 0.002 0.000 0.833 72 D CB -0.072 40.722 40.800 -0.009 0.000 0.954 72 D HN 0.013 nan 8.370 nan 0.000 0.455 73 V N 1.172 121.090 119.914 0.005 0.000 2.295 73 V HA -0.219 3.053 4.120 -1.413 0.000 0.246 73 V C 2.532 178.664 176.094 0.064 0.000 1.049 73 V CA 1.410 63.724 62.300 0.024 0.000 1.024 73 V CB -0.367 31.448 31.823 -0.014 0.000 0.648 73 V HN 0.170 nan 8.190 nan 0.000 0.447 74 Q N -0.205 119.610 119.800 0.025 0.000 2.226 74 Q HA -0.219 3.273 4.340 -1.413 0.000 0.204 74 Q C 2.250 178.265 176.000 0.024 0.000 0.975 74 Q CA 1.662 57.473 55.803 0.013 0.000 0.866 74 Q CB -0.286 28.448 28.738 -0.006 0.000 0.915 74 Q HN 0.687 nan 8.270 nan 0.000 0.440 75 K N -0.357 120.062 120.400 0.031 0.000 2.001 75 K HA -0.150 3.322 4.320 -1.413 0.000 0.208 75 K C 1.977 178.622 176.600 0.075 0.000 1.048 75 K CA 1.019 57.320 56.287 0.024 0.000 0.932 75 K CB -0.313 32.196 32.500 0.016 0.000 0.715 75 K HN 0.067 nan 8.250 nan 0.000 0.437 76 F N 2.122 122.033 119.950 -0.065 0.000 2.095 76 F HA -0.195 3.484 4.527 -1.413 0.000 0.298 76 F C 2.091 177.808 175.800 -0.138 0.000 1.104 76 F CA 1.736 59.676 58.000 -0.100 0.000 1.232 76 F CB -0.166 38.776 39.000 -0.096 0.000 0.987 76 F HN -0.001 nan 8.300 nan 0.000 0.475 77 R N -1.167 119.308 120.500 -0.041 0.000 2.091 77 R HA -0.248 3.244 4.340 -1.413 0.000 0.238 77 R C 2.214 178.290 176.300 -0.373 0.000 1.136 77 R CA 1.846 57.790 56.100 -0.259 0.000 0.959 77 R CB -1.136 29.082 30.300 -0.137 0.000 0.856 77 R HN 0.488 nan 8.270 nan 0.000 0.437 78 H N 0.953 119.853 119.070 -0.283 0.000 2.387 78 H HA -0.070 3.638 4.556 -1.414 0.000 0.299 78 H C 1.665 176.813 175.328 -0.300 0.000 1.090 78 H CA 1.723 57.612 56.048 -0.265 0.000 1.332 78 H CB 0.222 29.892 29.762 -0.154 0.000 1.386 78 H HN 0.272 nan 8.280 nan 0.000 0.516 79 E N -0.327 119.777 120.200 -0.161 0.000 2.072 79 E HA -0.120 3.382 4.350 -1.413 0.000 0.190 79 E C 1.990 178.368 176.600 -0.370 0.000 0.982 79 E CA 0.706 56.984 56.400 -0.204 0.000 0.803 79 E CB 0.045 29.640 29.700 -0.175 0.000 0.755 79 E HN 0.312 nan 8.360 nan 0.000 0.453 80 L N 0.808 121.681 121.223 -0.584 0.000 2.017 80 L HA -0.155 3.337 4.340 -1.413 0.000 0.208 80 L C 2.423 178.814 176.870 -0.798 0.000 1.073 80 L CA 1.583 56.033 54.840 -0.650 0.000 0.745 80 L CB -0.769 40.776 42.059 -0.856 0.000 0.894 80 L HN -0.009 nan 8.230 nan 0.000 0.432 81 S N -0.979 114.067 115.700 -1.089 0.000 2.370 81 S HA -0.181 3.441 4.470 -1.413 0.000 0.226 81 S C 2.126 176.457 174.600 -0.449 0.000 1.033 81 S CA 1.442 59.034 58.200 -1.012 0.000 1.011 81 S CB -0.314 62.381 63.200 -0.841 0.000 0.852 81 S HN 0.733 nan 8.310 nan 0.000 0.457 82 S N 1.140 116.599 115.700 -0.402 0.000 2.465 82 S HA 0.016 3.638 4.470 -1.413 0.000 0.241 82 S C 1.461 176.030 174.600 -0.052 0.000 1.000 82 S CA 0.778 58.841 58.200 -0.228 0.000 0.964 82 S CB -0.601 62.472 63.200 -0.212 0.000 0.763 82 S HN 0.546 nan 8.310 nan 0.000 0.512 83 L N 0.629 121.859 121.223 0.012 0.000 2.591 83 L HA 0.442 3.934 4.340 -1.413 0.000 0.228 83 L C 0.955 178.027 176.870 0.336 0.000 1.133 83 L CA 0.133 55.096 54.840 0.205 0.000 0.880 83 L CB -0.391 41.827 42.059 0.266 0.000 1.033 83 L HN 0.434 nan 8.230 nan 0.000 0.450 84 A N -1.093 121.870 122.820 0.239 0.000 2.498 84 A HA 0.488 3.960 4.320 -1.413 0.000 0.298 84 A C -0.443 177.227 177.584 0.143 0.000 1.075 84 A CA -0.567 51.629 52.037 0.265 0.000 0.714 84 A CB 1.436 20.705 19.000 0.448 0.000 1.299 84 A HN -0.037 nan 8.150 nan 0.000 0.407 85 D N -0.292 120.164 120.400 0.093 0.000 2.379 85 D HA 0.196 3.988 4.640 -1.413 0.000 0.218 85 D C 0.087 176.436 176.300 0.081 0.000 1.006 85 D CA 1.221 55.251 54.000 0.051 0.000 0.893 85 D CB 0.805 41.604 40.800 -0.003 0.000 1.019 85 D HN 0.242 nan 8.370 nan 0.000 0.503 86 V N 0.998 120.972 119.914 0.101 0.000 2.604 86 V HA 0.297 3.569 4.120 -1.413 0.000 0.305 86 V C -1.189 175.003 176.094 0.164 0.000 1.043 86 V CA -1.005 61.355 62.300 0.100 0.000 0.888 86 V CB 2.313 34.158 31.823 0.037 0.000 0.995 86 V HN 0.030 nan 8.190 nan 0.000 0.429 87 Y N 5.143 125.447 120.300 0.006 0.000 2.331 87 Y HA 0.785 4.487 4.550 -1.414 0.000 0.334 87 Y C -1.040 174.826 175.900 -0.057 0.000 0.960 87 Y CA -0.864 57.186 58.100 -0.083 0.000 1.130 87 Y CB 1.489 39.795 38.460 -0.255 0.000 1.164 87 Y HN 0.560 nan 8.280 nan 0.000 0.458 88 I N 6.109 126.253 120.570 -0.710 0.000 2.433 88 I HA 0.299 3.621 4.170 -1.413 0.000 0.292 88 I C -0.700 174.918 176.117 -0.831 0.000 1.001 88 I CA -0.410 60.515 61.300 -0.624 0.000 1.119 88 I CB 1.775 39.574 38.000 -0.335 0.000 1.289 88 I HN 0.735 nan 8.210 nan 0.000 0.438 89 N N 4.072 122.411 118.700 -0.603 0.000 2.424 89 N HA 0.248 4.140 4.740 -1.413 0.000 0.271 89 N C -0.784 174.628 175.510 -0.162 0.000 0.985 89 N CA -0.253 52.593 53.050 -0.341 0.000 0.921 89 N CB 0.821 39.270 38.487 -0.063 0.000 1.149 89 N HN 0.530 nan 8.380 nan 0.000 0.492 90 D N 2.843 123.167 120.400 -0.127 0.000 2.650 90 D HA 0.263 4.055 4.640 -1.413 0.000 0.265 90 D C -1.011 175.294 176.300 0.009 0.000 1.339 90 D CA -0.110 53.852 54.000 -0.062 0.000 0.816 90 D CB 0.499 41.234 40.800 -0.108 0.000 1.091 90 D HN 0.533 nan 8.370 nan 0.000 0.483 91 A N 0.669 123.516 122.820 0.045 0.000 2.786 91 A HA 0.267 3.739 4.320 -1.413 0.000 0.346 91 A C 0.564 178.234 177.584 0.143 0.000 1.265 91 A CA -0.595 51.491 52.037 0.082 0.000 0.858 91 A CB -0.499 18.536 19.000 0.057 0.000 1.118 91 A HN 0.207 nan 8.150 nan 0.000 0.482 92 F N 2.377 122.357 119.950 0.051 0.000 2.075 92 F HA -0.044 3.634 4.527 -1.415 0.000 0.297 92 F C 2.087 177.928 175.800 0.070 0.000 1.113 92 F CA 2.547 60.582 58.000 0.058 0.000 1.218 92 F CB -0.430 38.608 39.000 0.063 0.000 0.984 92 F HN 0.462 nan 8.300 nan 0.000 0.472 93 G N -1.501 107.292 108.800 -0.011 0.000 2.516 93 G HA2 -0.231 2.881 3.960 -1.413 0.000 0.221 93 G HA3 -0.231 2.881 3.960 -1.413 0.000 0.221 93 G C 1.318 176.237 174.900 0.030 0.000 1.107 93 G CA 1.534 46.595 45.100 -0.065 0.000 0.747 93 G HN 0.450 nan 8.290 nan 0.000 0.567 94 T N 0.004 114.581 114.554 0.038 0.000 3.010 94 T HA 0.423 3.925 4.350 -1.413 0.000 0.257 94 T C 2.438 177.089 174.700 -0.081 0.000 1.020 94 T CA 0.429 62.532 62.100 0.005 0.000 0.938 94 T CB 0.507 69.426 68.868 0.084 0.000 1.049 94 T HN 0.302 nan 8.240 nan 0.000 0.522 95 A N 2.411 125.201 122.820 -0.050 0.000 2.076 95 A HA -0.177 3.295 4.320 -1.413 0.000 0.220 95 A C 1.938 179.495 177.584 -0.045 0.000 1.160 95 A CA 1.427 53.436 52.037 -0.046 0.000 0.653 95 A CB -0.712 18.265 19.000 -0.039 0.000 0.801 95 A HN 0.753 nan 8.150 nan 0.000 0.455 96 H N -1.157 117.768 119.070 -0.243 0.000 2.539 96 H HA 0.193 3.901 4.556 -1.414 0.000 0.267 96 H C -0.088 175.119 175.328 -0.203 0.000 0.982 96 H CA 0.056 55.985 56.048 -0.198 0.000 1.146 96 H CB -0.193 29.444 29.762 -0.208 0.000 1.382 96 H HN 0.220 nan 8.280 nan 0.000 0.577 97 R N 1.022 121.174 120.500 -0.579 0.000 2.346 97 R HA 0.487 3.979 4.340 -1.413 0.000 0.311 97 R C -0.160 175.891 176.300 -0.416 0.000 0.983 97 R CA -0.142 55.531 56.100 -0.712 0.000 0.880 97 R CB 1.443 30.942 30.300 -1.336 0.000 1.100 97 R HN 0.240 nan 8.270 nan 0.000 0.453 98 A N 4.054 126.735 122.820 -0.232 0.000 3.117 98 A HA 0.128 3.600 4.320 -1.413 0.000 0.255 98 A C -0.054 177.560 177.584 0.050 0.000 1.583 98 A CA -0.234 51.754 52.037 -0.082 0.000 1.234 98 A CB -0.749 18.227 19.000 -0.039 0.000 1.076 98 A HN 0.677 nan 8.150 nan 0.000 0.653 99 H N -0.619 118.387 119.070 -0.107 0.000 2.547 99 H HA 0.160 3.867 4.556 -1.414 0.000 0.362 99 H C 1.188 176.485 175.328 -0.051 0.000 1.181 99 H CA -0.412 55.592 56.048 -0.073 0.000 1.376 99 H CB 1.137 30.859 29.762 -0.066 0.000 1.488 99 H HN 0.432 nan 8.280 nan 0.000 0.583 100 S N 0.912 116.687 115.700 0.126 0.000 2.365 100 S HA -0.225 3.397 4.470 -1.413 0.000 0.225 100 S C 2.207 176.869 174.600 0.103 0.000 1.039 100 S CA 1.800 60.071 58.200 0.118 0.000 1.033 100 S CB -0.309 63.084 63.200 0.322 0.000 0.887 100 S HN 0.776 nan 8.310 nan 0.000 0.447 101 S N 0.510 116.337 115.700 0.212 0.000 2.507 101 S HA 0.089 3.711 4.470 -1.413 0.000 0.235 101 S C 1.579 176.273 174.600 0.156 0.000 0.988 101 S CA 0.632 58.992 58.200 0.267 0.000 0.944 101 S CB -0.223 63.188 63.200 0.353 0.000 0.762 101 S HN 0.295 nan 8.310 nan 0.000 0.526 102 M N 1.289 120.903 119.600 0.022 0.000 2.557 102 M HA 0.220 3.852 4.480 -1.413 0.000 0.262 102 M C 1.767 177.727 176.300 -0.567 0.000 1.168 102 M CA 1.035 56.282 55.300 -0.090 0.000 1.194 102 M CB -0.557 32.008 32.600 -0.058 0.000 1.311 102 M HN 0.404 nan 8.290 nan 0.000 0.489 103 V N -3.150 116.381 119.914 -0.637 0.000 3.176 103 V HA 0.548 3.820 4.120 -1.413 0.000 0.332 103 V C 1.089 176.717 176.094 -0.777 0.000 1.414 103 V CA 0.356 61.973 62.300 -1.138 0.000 1.133 103 V CB -0.518 31.021 31.823 -0.474 0.000 1.088 103 V HN 0.354 nan 8.190 nan 0.000 0.473 104 G N -0.409 108.096 108.800 -0.492 0.000 3.277 104 G HA2 0.278 3.390 3.960 -1.413 0.000 0.243 104 G HA3 0.278 3.390 3.960 -1.413 0.000 0.243 104 G C -0.147 174.596 174.900 -0.262 0.000 1.107 104 G CA -0.094 44.852 45.100 -0.257 0.000 0.771 104 G HN 0.398 nan 8.290 nan 0.000 0.544 105 F N 1.394 121.122 119.950 -0.371 0.000 2.375 105 F HA 0.316 3.995 4.527 -1.414 0.000 0.362 105 F C 0.099 175.904 175.800 0.009 0.000 1.129 105 F CA -1.728 56.115 58.000 -0.262 0.000 1.154 105 F CB 1.568 40.248 39.000 -0.532 0.000 1.205 105 F HN -0.098 nan 8.300 nan 0.000 0.513 106 D N 5.344 125.752 120.400 0.013 0.000 2.713 106 D HA 0.326 4.118 4.640 -1.413 0.000 0.229 106 D C -1.235 175.078 176.300 0.022 0.000 1.136 106 D CA -0.031 53.992 54.000 0.039 0.000 1.010 106 D CB -0.422 40.372 40.800 -0.011 0.000 1.084 106 D HN 0.275 nan 8.370 nan 0.000 0.495 107 L N -0.339 120.919 121.223 0.058 0.000 2.472 107 L HA 0.604 4.096 4.340 -1.413 0.000 0.260 107 L C -2.168 174.710 176.870 0.013 0.000 0.963 107 L CA -1.649 53.215 54.840 0.040 0.000 0.829 107 L CB 1.324 43.429 42.059 0.077 0.000 1.348 107 L HN -0.319 nan 8.230 nan 0.000 0.408 108 P HA -0.106 nan 4.420 nan 0.000 0.223 108 P C 0.174 177.467 177.300 -0.013 0.000 1.151 108 P CA 0.888 63.970 63.100 -0.030 0.000 0.787 108 P CB 0.473 32.159 31.700 -0.024 0.000 0.788 109 Q N 0.994 120.808 119.800 0.022 0.000 3.004 109 Q HA 0.139 3.631 4.340 -1.413 0.000 0.256 109 Q C -0.187 175.854 176.000 0.070 0.000 1.387 109 Q CA 0.145 55.968 55.803 0.033 0.000 0.962 109 Q CB -0.111 28.649 28.738 0.037 0.000 1.676 109 Q HN 0.269 nan 8.270 nan 0.000 0.568 110 R N 0.436 120.964 120.500 0.045 0.000 2.534 110 R HA 0.791 4.283 4.340 -1.413 0.000 0.301 110 R C -1.048 175.263 176.300 0.018 0.000 0.961 110 R CA -0.459 55.703 56.100 0.104 0.000 0.871 110 R CB 1.961 32.290 30.300 0.048 0.000 1.170 110 R HN 0.315 nan 8.270 nan 0.000 0.446 111 A N 1.316 124.127 122.820 -0.016 0.000 2.602 111 A HA 0.802 4.274 4.320 -1.413 0.000 0.290 111 A C -1.538 175.982 177.584 -0.106 0.000 1.114 111 A CA -0.708 51.291 52.037 -0.064 0.000 0.683 111 A CB 1.682 20.628 19.000 -0.090 0.000 1.281 111 A HN 0.714 nan 8.150 nan 0.000 0.416 112 A N -0.103 122.661 122.820 -0.092 0.000 2.303 112 A HA 0.759 4.231 4.320 -1.413 0.000 0.317 112 A C 0.585 178.056 177.584 -0.188 0.000 1.149 112 A CA 0.135 52.116 52.037 -0.094 0.000 0.822 112 A CB 0.545 19.531 19.000 -0.024 0.000 1.131 112 A HN 2.045 nan 8.150 nan 0.000 0.493 113 G N -0.516 108.162 108.800 -0.204 0.000 2.477 113 G HA2 0.468 3.580 3.960 -1.413 0.000 0.304 113 G HA3 0.468 3.580 3.960 -1.413 0.000 0.304 113 G C 0.297 175.073 174.900 -0.206 0.000 1.175 113 G CA -0.486 44.409 45.100 -0.342 0.000 0.907 113 G HN 0.450 nan 8.290 nan 0.000 0.509 114 F N 0.029 119.929 119.950 -0.084 0.000 2.115 114 F HA -0.128 3.550 4.527 -1.414 0.000 0.300 114 F C 2.470 178.247 175.800 -0.039 0.000 1.092 114 F CA 0.968 58.922 58.000 -0.078 0.000 1.245 114 F CB -0.853 38.099 39.000 -0.080 0.000 0.995 114 F HN 0.308 nan 8.300 nan 0.000 0.481 115 L N -0.396 120.925 121.223 0.163 0.000 2.027 115 L HA -0.117 3.375 4.340 -1.413 0.000 0.206 115 L C 2.227 179.139 176.870 0.070 0.000 1.074 115 L CA 1.283 56.193 54.840 0.117 0.000 0.745 115 L CB -0.942 41.186 42.059 0.115 0.000 0.898 115 L HN 0.151 nan 8.230 nan 0.000 0.433 116 L N -0.512 120.751 121.223 0.067 0.000 2.093 116 L HA -0.180 3.312 4.340 -1.413 0.000 0.208 116 L C 2.357 179.239 176.870 0.020 0.000 1.085 116 L CA 1.716 56.606 54.840 0.083 0.000 0.755 116 L CB -0.787 41.343 42.059 0.117 0.000 0.904 116 L HN 0.433 nan 8.230 nan 0.000 0.435 117 E N -0.411 119.806 120.200 0.027 0.000 2.051 117 E HA -0.308 3.194 4.350 -1.413 0.000 0.192 117 E C 2.206 178.794 176.600 -0.020 0.000 0.991 117 E CA 1.475 57.885 56.400 0.017 0.000 0.799 117 E CB -0.062 29.671 29.700 0.054 0.000 0.748 117 E HN 0.509 nan 8.360 nan 0.000 0.449 118 K N 0.481 120.873 120.400 -0.012 0.000 2.032 118 K HA -0.206 3.266 4.320 -1.413 0.000 0.209 118 K C 2.019 178.559 176.600 -0.099 0.000 1.048 118 K CA 1.528 57.791 56.287 -0.040 0.000 0.927 118 K CB 0.081 32.596 32.500 0.025 0.000 0.712 118 K HN 0.024 nan 8.250 nan 0.000 0.441 119 E N 0.631 120.729 120.200 -0.169 0.000 2.038 119 E HA -0.207 3.295 4.350 -1.413 0.000 0.195 119 E C 2.105 178.660 176.600 -0.076 0.000 1.000 119 E CA 1.098 57.322 56.400 -0.293 0.000 0.803 119 E CB -0.267 28.743 29.700 -1.149 0.000 0.750 119 E HN 0.219 nan 8.360 nan 0.000 0.448 120 L N 1.764 122.934 121.223 -0.088 0.000 2.046 120 L HA -0.178 3.314 4.340 -1.413 0.000 0.208 120 L C 2.451 179.355 176.870 0.056 0.000 1.077 120 L CA 1.600 56.469 54.840 0.048 0.000 0.747 120 L CB -0.874 41.216 42.059 0.053 0.000 0.896 120 L HN 0.105 nan 8.230 nan 0.000 0.432 121 K N -0.875 119.508 120.400 -0.028 0.000 1.978 121 K HA -0.254 3.218 4.320 -1.413 0.000 0.214 121 K C 2.340 178.850 176.600 -0.150 0.000 1.049 121 K CA 1.929 58.148 56.287 -0.114 0.000 0.939 121 K CB -0.659 31.721 32.500 -0.201 0.000 0.721 121 K HN 0.171 nan 8.250 nan 0.000 0.441 122 Y N 0.113 120.291 120.300 -0.203 0.000 2.040 122 Y HA -0.265 3.438 4.550 -1.411 0.000 0.275 122 Y C 2.308 178.069 175.900 -0.232 0.000 1.171 122 Y CA 2.253 60.178 58.100 -0.292 0.000 1.123 122 Y CB -0.473 37.654 38.460 -0.554 0.000 0.963 122 Y HN 0.091 nan 8.280 nan 0.000 0.493 123 F N -1.014 118.987 119.950 0.084 0.000 2.365 123 F HA -0.074 3.603 4.527 -1.415 0.000 0.300 123 F C 2.300 178.122 175.800 0.037 0.000 1.090 123 F CA 1.000 59.052 58.000 0.085 0.000 1.408 123 F CB -0.782 38.286 39.000 0.113 0.000 1.060 123 F HN 0.028 nan 8.300 nan 0.000 0.534 124 G N 0.728 109.614 108.800 0.144 0.000 2.404 124 G HA2 -0.203 2.909 3.960 -1.413 0.000 0.213 124 G HA3 -0.203 2.909 3.960 -1.413 0.000 0.213 124 G C 1.679 176.572 174.900 -0.012 0.000 1.189 124 G CA 0.748 45.887 45.100 0.065 0.000 0.796 124 G HN 0.404 nan 8.290 nan 0.000 0.532 125 K N 0.732 121.084 120.400 -0.081 0.000 2.026 125 K HA 0.209 3.681 4.320 -1.413 0.000 0.208 125 K C 2.621 179.109 176.600 -0.187 0.000 1.048 125 K CA 1.466 57.673 56.287 -0.133 0.000 0.929 125 K CB -0.586 31.805 32.500 -0.182 0.000 0.713 125 K HN 0.151 nan 8.250 nan 0.000 0.439 126 A N 2.206 124.890 122.820 -0.226 0.000 1.859 126 A HA -0.155 3.317 4.320 -1.413 0.000 0.217 126 A C 2.342 179.629 177.584 -0.495 0.000 1.198 126 A CA 1.896 53.662 52.037 -0.453 0.000 0.629 126 A CB -0.956 17.855 19.000 -0.314 0.000 0.830 126 A HN 0.331 nan 8.150 nan 0.000 0.446 127 L N -1.249 119.923 121.223 -0.085 0.000 2.093 127 L HA -0.175 3.317 4.340 -1.413 0.000 0.208 127 L C 2.671 179.580 176.870 0.066 0.000 1.085 127 L CA 1.639 56.555 54.840 0.127 0.000 0.755 127 L CB -0.504 41.678 42.059 0.204 0.000 0.904 127 L HN 0.519 nan 8.230 nan 0.000 0.435 128 E N -0.478 119.723 120.200 0.001 0.000 2.030 128 E HA -0.063 3.439 4.350 -1.413 0.000 0.189 128 E C 0.925 177.507 176.600 -0.031 0.000 0.974 128 E CA 0.560 56.961 56.400 0.000 0.000 0.807 128 E CB 0.194 29.892 29.700 -0.003 0.000 0.771 128 E HN 0.275 nan 8.360 nan 0.000 0.451 129 N N 1.011 119.662 118.700 -0.081 0.000 2.750 129 N HA 0.162 4.054 4.740 -1.413 0.000 0.253 129 N C -2.846 172.581 175.510 -0.139 0.000 1.408 129 N CA -1.143 51.856 53.050 -0.085 0.000 0.780 129 N CB 1.236 39.685 38.487 -0.063 0.000 1.191 129 N HN -0.021 nan 8.380 nan 0.000 0.511 130 P HA 0.274 nan 4.420 nan 0.000 0.283 130 P C -0.479 176.742 177.300 -0.132 0.000 1.271 130 P CA -0.139 62.807 63.100 -0.258 0.000 0.841 130 P CB 1.503 32.864 31.700 -0.566 0.000 1.122 131 T N 2.093 116.579 114.554 -0.114 0.000 2.851 131 T HA 0.257 3.759 4.350 -1.413 0.000 0.298 131 T C 0.531 175.221 174.700 -0.016 0.000 0.977 131 T CA -0.122 61.946 62.100 -0.053 0.000 1.126 131 T CB 0.159 68.999 68.868 -0.047 0.000 0.916 131 T HN 0.272 nan 8.240 nan 0.000 0.529 132 R N 3.104 123.611 120.500 0.013 0.000 2.598 132 R HA 0.431 3.923 4.340 -1.413 0.000 0.279 132 R C -2.621 173.701 176.300 0.037 0.000 0.984 132 R CA -2.193 53.938 56.100 0.052 0.000 0.999 132 R CB 0.567 30.902 30.300 0.059 0.000 1.114 132 R HN 0.352 nan 8.270 nan 0.000 0.493 133 P HA -0.060 nan 4.420 nan 0.000 0.268 133 P C -1.121 176.270 177.300 0.152 0.000 1.204 133 P CA 0.105 63.248 63.100 0.073 0.000 0.768 133 P CB 0.343 32.062 31.700 0.032 0.000 0.842 134 F N 5.414 125.351 119.950 -0.022 0.000 2.385 134 F HA 0.479 4.157 4.527 -1.414 0.000 0.360 134 F C -1.128 174.655 175.800 -0.029 0.000 1.122 134 F CA -1.874 56.114 58.000 -0.020 0.000 1.090 134 F CB 0.120 39.114 39.000 -0.010 0.000 1.150 134 F HN 0.048 nan 8.300 nan 0.000 0.472 135 L N 6.384 127.652 121.223 0.076 0.000 2.322 135 L HA 0.854 4.346 4.340 -1.413 0.000 0.281 135 L C -1.228 175.510 176.870 -0.219 0.000 1.014 135 L CA -0.441 54.312 54.840 -0.146 0.000 0.815 135 L CB 1.385 43.398 42.059 -0.076 0.000 1.247 135 L HN 0.679 nan 8.230 nan 0.000 0.421 136 A N 6.469 129.101 122.820 -0.314 0.000 2.304 136 A HA 0.746 4.218 4.320 -1.413 0.000 0.314 136 A C -0.778 176.706 177.584 -0.166 0.000 1.187 136 A CA -0.455 51.454 52.037 -0.213 0.000 0.810 136 A CB 0.387 19.221 19.000 -0.277 0.000 1.183 136 A HN 0.701 nan 8.150 nan 0.000 0.487 137 I N 3.723 124.239 120.570 -0.089 0.000 2.312 137 I HA 0.364 3.686 4.170 -1.413 0.000 0.290 137 I C -0.556 175.602 176.117 0.068 0.000 1.008 137 I CA -0.145 61.073 61.300 -0.136 0.000 1.226 137 I CB 0.986 38.784 38.000 -0.337 0.000 1.371 137 I HN 0.476 nan 8.210 nan 0.000 0.468 138 L N 5.525 126.743 121.223 -0.008 0.000 2.333 138 L HA 0.940 4.432 4.340 -1.413 0.000 0.269 138 L C 0.161 177.075 176.870 0.073 0.000 1.010 138 L CA -0.717 54.160 54.840 0.061 0.000 0.818 138 L CB 2.127 44.184 42.059 -0.003 0.000 1.306 138 L HN 0.716 nan 8.230 nan 0.000 0.430 139 G N -0.135 108.740 108.800 0.126 0.000 2.755 139 G HA2 0.691 3.803 3.960 -1.413 0.000 0.297 139 G HA3 0.691 3.803 3.960 -1.413 0.000 0.297 139 G C -1.143 173.838 174.900 0.135 0.000 1.441 139 G CA -0.045 45.141 45.100 0.144 0.000 0.964 139 G HN 0.950 nan 8.290 nan 0.000 0.540 140 G N -1.211 107.670 108.800 0.135 0.000 2.322 140 G HA2 0.634 3.746 3.960 -1.413 0.000 0.295 140 G HA3 0.634 3.746 3.960 -1.413 0.000 0.295 140 G C 0.455 175.436 174.900 0.136 0.000 1.369 140 G CA 0.520 45.695 45.100 0.126 0.000 0.821 140 G HN 1.609 nan 8.290 nan 0.000 0.536 141 A N -0.664 122.229 122.820 0.122 0.000 1.911 141 A HA 0.443 3.915 4.320 -1.413 0.000 0.212 141 A C 1.118 178.767 177.584 0.108 0.000 1.189 141 A CA 1.198 53.312 52.037 0.129 0.000 0.639 141 A CB -0.068 18.999 19.000 0.112 0.000 0.839 141 A HN 0.428 nan 8.150 nan 0.000 0.449 142 K N -0.399 120.050 120.400 0.080 0.000 2.182 142 K HA 0.409 3.881 4.320 -1.413 0.000 0.262 142 K C 0.579 177.219 176.600 0.065 0.000 0.957 142 K CA -0.070 56.249 56.287 0.053 0.000 0.842 142 K CB 2.275 34.792 32.500 0.028 0.000 1.099 142 K HN 0.049 nan 8.250 nan 0.000 0.438 143 V N 1.981 121.925 119.914 0.050 0.000 2.685 143 V HA -0.015 3.257 4.120 -1.413 0.000 0.244 143 V C 1.737 177.844 176.094 0.022 0.000 1.054 143 V CA 1.778 64.125 62.300 0.077 0.000 1.076 143 V CB 0.094 31.956 31.823 0.064 0.000 0.725 143 V HN 0.866 nan 8.190 nan 0.000 0.467 144 A N 0.340 123.145 122.820 -0.025 0.000 2.032 144 A HA -0.273 3.199 4.320 -1.413 0.000 0.221 144 A C 1.760 179.342 177.584 -0.003 0.000 1.165 144 A CA 2.421 54.439 52.037 -0.031 0.000 0.645 144 A CB -0.852 18.121 19.000 -0.046 0.000 0.807 144 A HN 0.664 nan 8.150 nan 0.000 0.453 145 D N -0.052 120.355 120.400 0.012 0.000 2.103 145 D HA -0.069 3.723 4.640 -1.413 0.000 0.199 145 D C 1.599 177.917 176.300 0.031 0.000 0.978 145 D CA 1.235 55.248 54.000 0.021 0.000 0.829 145 D CB -0.152 40.665 40.800 0.027 0.000 0.981 145 D HN 0.387 nan 8.370 nan 0.000 0.464 146 K N 0.777 121.206 120.400 0.048 0.000 2.505 146 K HA 0.050 3.522 4.320 -1.413 0.000 0.192 146 K C 1.591 178.228 176.600 0.063 0.000 1.025 146 K CA -0.072 56.251 56.287 0.060 0.000 1.086 146 K CB 0.359 32.908 32.500 0.081 0.000 0.840 146 K HN 0.161 nan 8.250 nan 0.000 0.514 147 I N 2.039 122.638 120.570 0.048 0.000 2.113 147 I HA -0.302 3.020 4.170 -1.413 0.000 0.242 147 I C 2.099 178.241 176.117 0.042 0.000 1.064 147 I CA 1.719 63.044 61.300 0.042 0.000 1.320 147 I CB -0.967 37.044 38.000 0.018 0.000 1.028 147 I HN 0.264 nan 8.210 nan 0.000 0.406 148 Q N -0.324 119.497 119.800 0.035 0.000 2.369 148 Q HA -0.080 3.412 4.340 -1.413 0.000 0.206 148 Q C 2.159 178.184 176.000 0.041 0.000 0.963 148 Q CA 0.679 56.503 55.803 0.034 0.000 0.894 148 Q CB -0.403 28.352 28.738 0.028 0.000 0.965 148 Q HN 0.441 nan 8.270 nan 0.000 0.475 149 L N 0.173 121.423 121.223 0.045 0.000 2.034 149 L HA -0.009 3.483 4.340 -1.413 0.000 0.203 149 L C 2.055 178.953 176.870 0.048 0.000 1.074 149 L CA 1.310 56.179 54.840 0.049 0.000 0.748 149 L CB -0.537 41.552 42.059 0.050 0.000 0.905 149 L HN 0.024 nan 8.230 nan 0.000 0.439 150 I N 0.078 120.680 120.570 0.052 0.000 2.163 150 I HA -0.323 2.999 4.170 -1.413 0.000 0.243 150 I C 2.202 178.343 176.117 0.041 0.000 1.085 150 I CA 1.979 63.309 61.300 0.049 0.000 1.347 150 I CB -0.493 37.566 38.000 0.098 0.000 1.044 150 I HN 0.414 nan 8.210 nan 0.000 0.408 151 D N 0.657 121.086 120.400 0.048 0.000 2.182 151 D HA -0.242 3.550 4.640 -1.413 0.000 0.201 151 D C 2.010 178.332 176.300 0.036 0.000 0.986 151 D CA 1.275 55.299 54.000 0.040 0.000 0.847 151 D CB -0.095 40.728 40.800 0.038 0.000 0.942 151 D HN 0.234 nan 8.370 nan 0.000 0.467 152 N N -0.365 118.360 118.700 0.041 0.000 2.250 152 N HA -0.078 3.814 4.740 -1.413 0.000 0.181 152 N C 1.944 177.483 175.510 0.048 0.000 1.017 152 N CA 0.364 53.444 53.050 0.049 0.000 0.866 152 N CB 0.024 38.547 38.487 0.060 0.000 0.985 152 N HN 0.266 nan 8.380 nan 0.000 0.429 153 L N 1.018 122.260 121.223 0.032 0.000 2.141 153 L HA -0.088 3.404 4.340 -1.413 0.000 0.209 153 L C 2.287 179.135 176.870 -0.036 0.000 1.094 153 L CA 0.570 55.407 54.840 -0.006 0.000 0.763 153 L CB -0.279 41.754 42.059 -0.043 0.000 0.908 153 L HN 0.211 nan 8.230 nan 0.000 0.437 154 L N -0.511 120.701 121.223 -0.017 0.000 2.265 154 L HA -0.209 3.283 4.340 -1.413 0.000 0.215 154 L C 1.656 178.527 176.870 0.001 0.000 1.117 154 L CA 0.779 55.608 54.840 -0.018 0.000 0.782 154 L CB -0.520 41.541 42.059 0.002 0.000 0.914 154 L HN 0.284 nan 8.230 nan 0.000 0.441 155 D N 0.280 120.693 120.400 0.021 0.000 2.363 155 D HA -0.087 3.705 4.640 -1.413 0.000 0.220 155 D C 1.688 178.021 176.300 0.056 0.000 0.994 155 D CA 0.798 54.820 54.000 0.037 0.000 0.890 155 D CB 0.270 41.098 40.800 0.046 0.000 0.906 155 D HN 0.582 nan 8.370 nan 0.000 0.530 156 K N -0.679 119.756 120.400 0.058 0.000 2.585 156 K HA 0.086 3.558 4.320 -1.413 0.000 0.210 156 K C 0.925 177.595 176.600 0.117 0.000 1.504 156 K CA -0.032 56.334 56.287 0.131 0.000 1.029 156 K CB 0.404 33.048 32.500 0.240 0.000 1.332 156 K HN 0.008 nan 8.250 nan 0.000 0.569 157 V N 0.236 120.072 119.914 -0.130 0.000 3.214 157 V HA 0.264 3.536 4.120 -1.413 0.000 0.306 157 V C 0.234 176.248 176.094 -0.135 0.000 1.078 157 V CA -0.204 61.877 62.300 -0.364 0.000 1.077 157 V CB 1.372 32.844 31.823 -0.585 0.000 1.121 157 V HN 0.056 nan 8.190 nan 0.000 0.468 158 D N 0.507 120.838 120.400 -0.116 0.000 2.379 158 D HA 0.141 3.933 4.640 -1.413 0.000 0.218 158 D C 0.751 177.000 176.300 -0.085 0.000 1.006 158 D CA 1.252 55.222 54.000 -0.051 0.000 0.893 158 D CB 0.816 41.616 40.800 -0.000 0.000 1.019 158 D HN 0.815 nan 8.370 nan 0.000 0.503 159 S N -0.054 115.564 115.700 -0.136 0.000 2.569 159 S HA 0.691 4.313 4.470 -1.413 0.000 0.280 159 S C -0.732 173.747 174.600 -0.202 0.000 1.111 159 S CA -0.859 57.256 58.200 -0.142 0.000 0.887 159 S CB 2.739 65.868 63.200 -0.119 0.000 1.095 159 S HN 0.102 nan 8.310 nan 0.000 0.476 160 I N 1.554 122.005 120.570 -0.199 0.000 2.548 160 I HA 0.507 3.829 4.170 -1.413 0.000 0.287 160 I C -1.751 174.200 176.117 -0.278 0.000 1.103 160 I CA -1.059 60.100 61.300 -0.234 0.000 1.049 160 I CB 1.206 39.083 38.000 -0.204 0.000 1.232 160 I HN 0.771 nan 8.210 nan 0.000 0.429 161 I N 8.150 128.513 120.570 -0.345 0.000 2.315 161 I HA 0.377 3.699 4.170 -1.413 0.000 0.291 161 I C -0.522 175.342 176.117 -0.420 0.000 1.006 161 I CA -0.449 60.550 61.300 -0.502 0.000 1.265 161 I CB 1.315 38.843 38.000 -0.785 0.000 1.387 161 I HN 0.405 nan 8.210 nan 0.000 0.475 162 I N 6.197 126.523 120.570 -0.406 0.000 2.359 162 I HA 0.431 3.753 4.170 -1.413 0.000 0.284 162 I C 0.560 176.557 176.117 -0.200 0.000 1.018 162 I CA -0.074 61.021 61.300 -0.341 0.000 1.173 162 I CB 1.358 38.992 38.000 -0.609 0.000 1.326 162 I HN 0.632 nan 8.210 nan 0.000 0.462 163 G N 3.193 111.946 108.800 -0.078 0.000 3.108 163 G HA2 0.797 3.909 3.960 -1.413 0.000 0.268 163 G HA3 0.797 3.909 3.960 -1.413 0.000 0.268 163 G C -0.099 174.867 174.900 0.110 0.000 1.361 163 G CA -0.364 44.799 45.100 0.106 0.000 1.047 163 G HN 0.903 nan 8.290 nan 0.000 0.540 164 G N -1.527 107.371 108.800 0.164 0.000 2.693 164 G HA2 0.261 3.373 3.960 -1.413 0.000 0.226 164 G HA3 0.261 3.373 3.960 -1.413 0.000 0.226 164 G C 1.255 176.242 174.900 0.145 0.000 1.354 164 G CA 0.411 45.615 45.100 0.172 0.000 0.873 164 G HN 1.837 nan 8.290 nan 0.000 0.562 165 G N -0.096 108.839 108.800 0.224 0.000 2.470 165 G HA2 0.070 3.182 3.960 -1.413 0.000 0.220 165 G HA3 0.070 3.182 3.960 -1.413 0.000 0.220 165 G C 1.917 176.997 174.900 0.299 0.000 1.121 165 G CA 2.189 47.492 45.100 0.339 0.000 0.766 165 G HN 1.472 nan 8.290 nan 0.000 0.553 166 M N -0.091 119.627 119.600 0.196 0.000 2.296 166 M HA 0.333 3.965 4.480 -1.413 0.000 0.265 166 M C 2.554 179.013 176.300 0.266 0.000 1.064 166 M CA 1.402 56.828 55.300 0.211 0.000 1.109 166 M CB -0.319 32.396 32.600 0.192 0.000 1.396 166 M HN 0.084 nan 8.290 nan 0.000 0.430 167 A N 1.241 124.118 122.820 0.095 0.000 1.908 167 A HA -0.126 3.346 4.320 -1.413 0.000 0.218 167 A C 1.795 179.408 177.584 0.049 0.000 1.181 167 A CA 1.702 53.739 52.037 -0.001 0.000 0.627 167 A CB -1.276 17.606 19.000 -0.197 0.000 0.818 167 A HN 0.581 nan 8.150 nan 0.000 0.445 168 F N 0.733 120.784 119.950 0.167 0.000 2.192 168 F HA -0.179 3.495 4.527 -1.423 0.000 0.301 168 F C 2.698 178.638 175.800 0.233 0.000 1.079 168 F CA 1.785 59.858 58.000 0.122 0.000 1.303 168 F CB -1.183 37.835 39.000 0.031 0.000 1.024 168 F HN 0.150 nan 8.300 nan 0.000 0.494 169 T N -0.399 114.380 114.554 0.374 0.000 2.812 169 T HA -0.129 3.373 4.350 -1.413 0.000 0.264 169 T C 1.804 176.624 174.700 0.200 0.000 1.042 169 T CA 1.077 63.318 62.100 0.235 0.000 1.140 169 T CB -0.573 68.202 68.868 -0.156 0.000 0.870 169 T HN 0.060 nan 8.240 nan 0.000 0.445 170 F N 1.686 121.706 119.950 0.118 0.000 2.134 170 F HA -0.027 3.650 4.527 -1.417 0.000 0.299 170 F C 2.453 178.324 175.800 0.118 0.000 1.097 170 F CA 1.157 59.211 58.000 0.091 0.000 1.264 170 F CB -0.187 38.843 39.000 0.050 0.000 1.001 170 F HN 0.011 nan 8.300 nan 0.000 0.479 171 K N -0.084 120.516 120.400 0.333 0.000 2.148 171 K HA -0.172 3.300 4.320 -1.413 0.000 0.204 171 K C 2.056 178.792 176.600 0.226 0.000 1.050 171 K CA 1.072 57.515 56.287 0.260 0.000 0.942 171 K CB -0.164 32.491 32.500 0.259 0.000 0.724 171 K HN 0.192 nan 8.250 nan 0.000 0.446 172 K N 0.860 121.412 120.400 0.253 0.000 2.116 172 K HA -0.043 3.429 4.320 -1.413 0.000 0.203 172 K C 1.899 178.584 176.600 0.142 0.000 1.052 172 K CA 0.521 56.912 56.287 0.174 0.000 0.952 172 K CB 0.327 32.909 32.500 0.137 0.000 0.729 172 K HN -0.112 nan 8.250 nan 0.000 0.446 173 V N 1.345 121.374 119.914 0.192 0.000 2.407 173 V HA -0.180 3.092 4.120 -1.413 0.000 0.245 173 V C 2.100 178.251 176.094 0.095 0.000 1.041 173 V CA 1.348 63.728 62.300 0.133 0.000 1.040 173 V CB -0.236 31.647 31.823 0.099 0.000 0.671 173 V HN 0.258 nan 8.190 nan 0.000 0.455 174 L N -0.486 120.806 121.223 0.116 0.000 2.145 174 L HA 0.063 3.555 4.340 -1.413 0.000 0.201 174 L C 1.855 178.781 176.870 0.094 0.000 1.075 174 L CA 1.251 56.154 54.840 0.106 0.000 0.773 174 L CB -0.283 41.860 42.059 0.139 0.000 0.936 174 L HN 0.270 nan 8.230 nan 0.000 0.451 175 E N -0.302 119.963 120.200 0.110 0.000 2.558 175 E HA 0.033 3.535 4.350 -1.413 0.000 0.205 175 E C -0.290 176.361 176.600 0.085 0.000 1.006 175 E CA -0.236 56.220 56.400 0.093 0.000 0.961 175 E CB 0.193 29.956 29.700 0.105 0.000 1.044 175 E HN 0.254 nan 8.360 nan 0.000 0.465 176 N N 1.850 120.597 118.700 0.079 0.000 2.698 176 N HA -0.167 3.725 4.740 -1.413 0.000 0.258 176 N C -1.097 174.450 175.510 0.062 0.000 0.978 176 N CA 0.807 53.890 53.050 0.054 0.000 0.777 176 N CB -1.031 37.475 38.487 0.032 0.000 0.907 176 N HN 0.017 nan 8.380 nan 0.000 0.543 177 T N 0.828 115.442 114.554 0.099 0.000 2.918 177 T HA -0.003 3.499 4.350 -1.413 0.000 0.302 177 T C 0.420 175.168 174.700 0.080 0.000 1.045 177 T CA -0.344 61.829 62.100 0.122 0.000 1.114 177 T CB 0.930 69.921 68.868 0.204 0.000 0.965 177 T HN 0.281 nan 8.240 nan 0.000 0.540 178 E N 3.510 123.752 120.200 0.070 0.000 1.865 178 E HA 0.189 3.691 4.350 -1.413 0.000 0.269 178 E C 0.106 176.716 176.600 0.017 0.000 1.177 178 E CA -0.392 56.024 56.400 0.026 0.000 0.932 178 E CB -0.100 29.613 29.700 0.022 0.000 1.066 178 E HN 0.574 nan 8.360 nan 0.000 0.405 179 I N 1.254 121.812 120.570 -0.021 0.000 2.577 179 I HA 0.550 3.872 4.170 -1.413 0.000 0.300 179 I C 0.776 176.823 176.117 -0.116 0.000 0.990 179 I CA -0.653 60.583 61.300 -0.106 0.000 1.283 179 I CB 1.600 39.536 38.000 -0.107 0.000 1.411 179 I HN 0.393 nan 8.210 nan 0.000 0.515 180 G N 3.115 111.828 108.800 -0.146 0.000 2.908 180 G HA2 0.023 3.135 3.960 -1.413 0.000 0.188 180 G HA3 0.023 3.135 3.960 -1.413 0.000 0.188 180 G C 0.169 175.027 174.900 -0.071 0.000 1.903 180 G CA 0.163 45.228 45.100 -0.058 0.000 0.883 180 G HN 0.730 nan 8.290 nan 0.000 0.515 181 D N 0.705 121.070 120.400 -0.058 0.000 2.491 181 D HA 0.296 4.088 4.640 -1.413 0.000 0.228 181 D C 0.413 176.652 176.300 -0.101 0.000 1.183 181 D CA -0.058 53.911 54.000 -0.051 0.000 0.827 181 D CB 0.430 41.217 40.800 -0.021 0.000 0.989 181 D HN 0.002 nan 8.370 nan 0.000 0.494 182 S N 0.514 116.081 115.700 -0.221 0.000 2.564 182 S HA 0.146 3.768 4.470 -1.413 0.000 0.278 182 S C 0.572 175.087 174.600 -0.143 0.000 1.333 182 S CA -0.647 57.330 58.200 -0.372 0.000 1.048 182 S CB 0.543 63.134 63.200 -1.015 0.000 0.900 182 S HN 0.098 nan 8.310 nan 0.000 0.505 183 I N 3.252 123.787 120.570 -0.058 0.000 3.085 183 I HA -0.046 3.276 4.170 -1.413 0.000 0.302 183 I C -0.148 176.066 176.117 0.163 0.000 1.234 183 I CA 0.726 62.071 61.300 0.075 0.000 1.396 183 I CB -1.058 37.012 38.000 0.117 0.000 1.385 183 I HN 0.370 nan 8.210 nan 0.000 0.533 184 F N 6.221 126.183 119.950 0.020 0.000 2.482 184 F HA 0.445 4.122 4.527 -1.416 0.000 0.331 184 F C -0.102 175.717 175.800 0.033 0.000 1.115 184 F CA -1.079 56.943 58.000 0.036 0.000 0.955 184 F CB 1.198 40.206 39.000 0.014 0.000 1.136 184 F HN 0.467 nan 8.300 nan 0.000 0.452 185 D N 5.246 125.117 120.400 -0.881 0.000 2.485 185 D HA 0.147 3.939 4.640 -1.413 0.000 0.221 185 D C 0.830 176.633 176.300 -0.829 0.000 1.112 185 D CA -0.111 53.524 54.000 -0.608 0.000 0.911 185 D CB 1.305 41.886 40.800 -0.366 0.000 1.019 185 D HN 0.527 nan 8.370 nan 0.000 0.516 186 K N 2.512 122.646 120.400 -0.443 0.000 2.152 186 K HA -0.088 3.384 4.320 -1.413 0.000 0.206 186 K C 1.615 178.142 176.600 -0.122 0.000 1.048 186 K CA 1.436 57.641 56.287 -0.137 0.000 0.933 186 K CB 0.002 32.555 32.500 0.088 0.000 0.721 186 K HN 0.412 nan 8.250 nan 0.000 0.447 187 A N -0.439 122.299 122.820 -0.137 0.000 1.854 187 A HA 0.044 3.516 4.320 -1.413 0.000 0.214 187 A C 2.404 179.911 177.584 -0.129 0.000 1.192 187 A CA 1.620 53.599 52.037 -0.096 0.000 0.611 187 A CB -1.213 17.743 19.000 -0.073 0.000 0.832 187 A HN 0.408 nan 8.150 nan 0.000 0.442 188 G N -0.365 108.322 108.800 -0.187 0.000 2.422 188 G HA2 0.010 3.122 3.960 -1.413 0.000 0.218 188 G HA3 0.010 3.122 3.960 -1.413 0.000 0.218 188 G C 1.714 176.466 174.900 -0.247 0.000 1.146 188 G CA 1.435 46.411 45.100 -0.207 0.000 0.769 188 G HN 0.811 nan 8.290 nan 0.000 0.547 189 A N 1.263 123.912 122.820 -0.285 0.000 1.958 189 A HA -0.162 3.310 4.320 -1.413 0.000 0.221 189 A C 2.150 179.682 177.584 -0.086 0.000 1.178 189 A CA 2.140 54.078 52.037 -0.165 0.000 0.642 189 A CB -0.458 18.550 19.000 0.013 0.000 0.816 189 A HN 0.523 nan 8.150 nan 0.000 0.453 190 E N -0.565 119.592 120.200 -0.071 0.000 2.110 190 E HA -0.146 3.356 4.350 -1.413 0.000 0.193 190 E C 1.597 178.164 176.600 -0.056 0.000 0.988 190 E CA 1.162 57.537 56.400 -0.041 0.000 0.804 190 E CB -0.186 29.495 29.700 -0.031 0.000 0.745 190 E HN 0.580 nan 8.360 nan 0.000 0.458 191 I N 0.611 121.129 120.570 -0.087 0.000 3.030 191 I HA -0.091 3.231 4.170 -1.413 0.000 0.270 191 I C 2.207 178.258 176.117 -0.110 0.000 1.211 191 I CA 0.456 61.708 61.300 -0.080 0.000 1.479 191 I CB -0.602 37.358 38.000 -0.068 0.000 1.105 191 I HN -0.015 nan 8.210 nan 0.000 0.447 192 V N 2.705 122.497 119.914 -0.204 0.000 2.317 192 V HA -0.213 3.059 4.120 -1.413 0.000 0.251 192 V C -0.053 175.985 176.094 -0.093 0.000 1.065 192 V CA 2.382 64.511 62.300 -0.284 0.000 1.049 192 V CB -1.744 29.783 31.823 -0.493 0.000 0.651 192 V HN 0.267 nan 8.190 nan 0.000 0.450 193 P HA -0.128 nan 4.420 nan 0.000 0.216 193 P C 1.647 178.952 177.300 0.009 0.000 1.153 193 P CA 1.290 64.388 63.100 -0.004 0.000 0.848 193 P CB -0.016 31.683 31.700 -0.002 0.000 0.787 194 K N -0.599 119.800 120.400 -0.002 0.000 2.032 194 K HA -0.096 3.376 4.320 -1.413 0.000 0.209 194 K C 1.968 178.582 176.600 0.023 0.000 1.048 194 K CA 1.256 57.548 56.287 0.008 0.000 0.927 194 K CB -0.942 31.559 32.500 0.001 0.000 0.712 194 K HN 0.077 nan 8.250 nan 0.000 0.441 195 L N -0.174 121.067 121.223 0.030 0.000 2.093 195 L HA -0.142 3.350 4.340 -1.413 0.000 0.208 195 L C 2.221 179.142 176.870 0.085 0.000 1.085 195 L CA 0.650 55.529 54.840 0.065 0.000 0.755 195 L CB -0.302 41.820 42.059 0.105 0.000 0.904 195 L HN 0.231 nan 8.230 nan 0.000 0.435 196 M N -0.530 119.124 119.600 0.091 0.000 2.200 196 M HA -0.146 3.485 4.480 -1.413 0.000 0.265 196 M C 2.120 178.453 176.300 0.056 0.000 1.066 196 M CA 1.525 56.881 55.300 0.093 0.000 1.127 196 M CB -0.918 31.744 32.600 0.103 0.000 1.379 196 M HN 0.243 nan 8.290 nan 0.000 0.420 197 E N -0.127 120.099 120.200 0.043 0.000 2.153 197 E HA -0.213 3.289 4.350 -1.413 0.000 0.194 197 E C 2.027 178.643 176.600 0.028 0.000 0.988 197 E CA 0.990 57.409 56.400 0.031 0.000 0.811 197 E CB -0.118 29.597 29.700 0.025 0.000 0.746 197 E HN 0.469 nan 8.360 nan 0.000 0.466 198 K N 0.871 121.289 120.400 0.031 0.000 2.103 198 K HA -0.043 3.429 4.320 -1.413 0.000 0.204 198 K C 2.139 178.752 176.600 0.023 0.000 1.052 198 K CA 0.929 57.232 56.287 0.026 0.000 0.945 198 K CB -0.019 32.498 32.500 0.029 0.000 0.722 198 K HN 0.062 nan 8.250 nan 0.000 0.443 199 A N 1.742 124.578 122.820 0.027 0.000 1.902 199 A HA -0.167 3.305 4.320 -1.413 0.000 0.217 199 A C 1.878 179.468 177.584 0.011 0.000 1.181 199 A CA 1.605 53.651 52.037 0.015 0.000 0.623 199 A CB -0.341 18.669 19.000 0.018 0.000 0.818 199 A HN 0.305 nan 8.150 nan 0.000 0.443 200 K N -0.301 120.109 120.400 0.017 0.000 2.026 200 K HA -0.054 3.418 4.320 -1.413 0.000 0.208 200 K C 2.191 178.799 176.600 0.012 0.000 1.048 200 K CA 1.160 57.456 56.287 0.014 0.000 0.929 200 K CB -0.360 32.151 32.500 0.019 0.000 0.713 200 K HN 0.414 nan 8.250 nan 0.000 0.439 201 A N 1.593 124.421 122.820 0.014 0.000 2.125 201 A HA -0.140 3.332 4.320 -1.413 0.000 0.219 201 A C 1.515 179.106 177.584 0.012 0.000 1.156 201 A CA 1.334 53.379 52.037 0.013 0.000 0.671 201 A CB -0.100 18.909 19.000 0.015 0.000 0.794 201 A HN 0.192 nan 8.150 nan 0.000 0.459 202 K N -1.859 118.547 120.400 0.010 0.000 2.374 202 K HA 0.264 3.736 4.320 -1.413 0.000 0.202 202 K C 0.790 177.392 176.600 0.004 0.000 1.040 202 K CA 0.444 56.736 56.287 0.009 0.000 1.085 202 K CB 0.504 33.010 32.500 0.009 0.000 0.873 202 K HN 0.591 nan 8.250 nan 0.000 0.539 203 G N 1.982 110.784 108.800 0.002 0.000 2.160 203 G HA2 -0.221 2.891 3.960 -1.413 0.000 0.244 203 G HA3 -0.221 2.891 3.960 -1.413 0.000 0.244 203 G C 0.002 174.896 174.900 -0.011 0.000 1.022 203 G CA -0.007 45.092 45.100 -0.002 0.000 0.741 203 G HN 0.107 nan 8.290 nan 0.000 0.508 204 V N 0.188 120.092 119.914 -0.017 0.000 2.465 204 V HA 0.398 3.670 4.120 -1.413 0.000 0.279 204 V C 0.630 176.701 176.094 -0.038 0.000 1.045 204 V CA -0.509 61.769 62.300 -0.036 0.000 0.938 204 V CB 1.674 33.469 31.823 -0.047 0.000 0.986 204 V HN 0.412 nan 8.190 nan 0.000 0.467 205 E N 2.948 123.116 120.200 -0.052 0.000 2.194 205 E HA 0.371 3.873 4.350 -1.413 0.000 0.284 205 E C -1.001 175.552 176.600 -0.078 0.000 1.035 205 E CA -0.332 56.037 56.400 -0.052 0.000 0.836 205 E CB 1.702 31.370 29.700 -0.053 0.000 1.070 205 E HN 0.466 nan 8.360 nan 0.000 0.401 206 V N 4.838 124.711 119.914 -0.068 0.000 2.350 206 V HA 0.160 3.432 4.120 -1.413 0.000 0.276 206 V C -0.206 175.828 176.094 -0.100 0.000 1.028 206 V CA -0.685 61.553 62.300 -0.102 0.000 0.860 206 V CB 1.309 33.089 31.823 -0.072 0.000 0.990 206 V HN 0.396 nan 8.190 nan 0.000 0.453 207 V N 7.241 127.065 119.914 -0.150 0.000 2.370 207 V HA 0.493 3.765 4.120 -1.413 0.000 0.279 207 V C 0.027 176.054 176.094 -0.111 0.000 1.029 207 V CA -0.359 61.873 62.300 -0.113 0.000 0.870 207 V CB 1.249 32.979 31.823 -0.155 0.000 0.984 207 V HN 0.611 nan 8.190 nan 0.000 0.451 208 L N 5.860 127.094 121.223 0.019 0.000 2.313 208 L HA 0.637 4.128 4.340 -1.413 0.000 0.268 208 L C -2.462 174.543 176.870 0.223 0.000 1.010 208 L CA -2.128 52.759 54.840 0.078 0.000 0.814 208 L CB 2.443 44.532 42.059 0.050 0.000 1.304 208 L HN 0.388 nan 8.230 nan 0.000 0.441 209 P HA 0.077 nan 4.420 nan 0.000 0.276 209 P C 0.186 177.355 177.300 -0.218 0.000 1.244 209 P CA -0.348 62.713 63.100 -0.064 0.000 0.801 209 P CB 0.937 32.609 31.700 -0.047 0.000 1.006 210 V N -2.656 117.006 119.914 -0.419 0.000 3.556 210 V HA 0.323 3.595 4.120 -1.413 0.000 0.287 210 V C -0.231 175.530 176.094 -0.554 0.000 1.422 210 V CA 0.233 62.327 62.300 -0.344 0.000 1.038 210 V CB -0.282 31.432 31.823 -0.182 0.000 0.850 210 V HN 0.534 nan 8.190 nan 0.000 0.437 211 D N -0.143 119.698 120.400 -0.932 0.000 2.609 211 D HA 0.553 4.345 4.640 -1.413 0.000 0.239 211 D C -1.292 174.373 176.300 -1.058 0.000 1.229 211 D CA -0.450 53.067 54.000 -0.805 0.000 0.808 211 D CB 1.800 42.398 40.800 -0.338 0.000 1.448 211 D HN 0.102 nan 8.370 nan 0.000 0.433 212 F N -0.451 119.539 119.950 0.066 0.000 2.601 212 F HA 0.438 4.115 4.527 -1.416 0.000 0.309 212 F C -0.182 175.698 175.800 0.132 0.000 1.089 212 F CA -1.266 56.811 58.000 0.128 0.000 0.940 212 F CB 1.656 40.820 39.000 0.273 0.000 1.273 212 F HN 0.086 nan 8.300 nan 0.000 0.450 213 I N 4.528 125.311 120.570 0.355 0.000 2.337 213 I HA 0.299 3.621 4.170 -1.413 0.000 0.291 213 I C 0.121 176.472 176.117 0.389 0.000 1.046 213 I CA -0.527 60.964 61.300 0.317 0.000 1.324 213 I CB 0.341 38.537 38.000 0.328 0.000 1.409 213 I HN 0.512 nan 8.210 nan 0.000 0.494 214 I N 3.397 124.176 120.570 0.348 0.000 2.498 214 I HA 0.900 4.222 4.170 -1.413 0.000 0.301 214 I C -0.115 176.338 176.117 0.561 0.000 0.984 214 I CA -0.673 60.848 61.300 0.368 0.000 1.204 214 I CB 1.972 40.141 38.000 0.281 0.000 1.362 214 I HN 0.531 nan 8.210 nan 0.000 0.471 215 A N 3.460 126.540 122.820 0.434 0.000 2.380 215 A HA 0.527 3.999 4.320 -1.413 0.000 0.315 215 A C -0.032 177.497 177.584 -0.093 0.000 1.101 215 A CA -0.512 51.697 52.037 0.288 0.000 0.771 215 A CB 1.283 20.318 19.000 0.058 0.000 1.287 215 A HN 0.868 nan 8.150 nan 0.000 0.436 216 D N 0.216 120.236 120.400 -0.634 0.000 2.355 216 D HA 0.386 4.178 4.640 -1.413 0.000 0.218 216 D C 0.340 176.353 176.300 -0.478 0.000 1.004 216 D CA 0.972 54.312 54.000 -1.101 0.000 0.880 216 D CB 0.228 40.163 40.800 -1.441 0.000 0.911 216 D HN 0.814 nan 8.370 nan 0.000 0.528 217 A N -0.443 122.234 122.820 -0.238 0.000 2.589 217 A HA 0.477 3.949 4.320 -1.413 0.000 0.296 217 A C -1.587 176.013 177.584 0.026 0.000 1.062 217 A CA -0.916 51.067 52.037 -0.089 0.000 0.686 217 A CB 0.488 19.444 19.000 -0.074 0.000 1.282 217 A HN 0.173 nan 8.150 nan 0.000 0.404 218 F N 3.341 123.250 119.950 -0.068 0.000 2.619 218 F HA 0.433 3.987 4.527 -1.623 0.000 0.350 218 F C 0.574 176.420 175.800 0.077 0.000 1.259 218 F CA 0.606 58.597 58.000 -0.016 0.000 1.204 218 F CB -0.075 38.919 39.000 -0.009 0.000 1.556 218 F HN 0.676 nan 8.300 nan 0.000 0.650 219 S N 2.054 117.955 115.700 0.334 0.000 2.596 219 S HA 0.589 4.211 4.470 -1.413 0.000 0.270 219 S C 0.299 174.760 174.600 -0.232 0.000 1.155 219 S CA -0.490 57.732 58.200 0.036 0.000 0.827 219 S CB 1.428 64.624 63.200 -0.008 0.000 1.130 219 S HN 0.418 nan 8.310 nan 0.000 0.467 220 A N -0.205 122.198 122.820 -0.695 0.000 2.178 220 A HA 0.108 3.580 4.320 -1.413 0.000 0.218 220 A C 0.847 178.344 177.584 -0.146 0.000 1.157 220 A CA 1.719 53.426 52.037 -0.549 0.000 0.689 220 A CB -0.751 17.910 19.000 -0.565 0.000 0.787 220 A HN 0.842 nan 8.150 nan 0.000 0.465 221 D N -1.505 118.846 120.400 -0.081 0.000 2.819 221 D HA 0.499 4.291 4.640 -1.413 0.000 0.326 221 D C 0.135 176.443 176.300 0.013 0.000 1.408 221 D CA 0.265 54.248 54.000 -0.028 0.000 0.811 221 D CB 0.430 41.204 40.800 -0.044 0.000 1.148 221 D HN 0.394 nan 8.370 nan 0.000 0.457 222 A N 0.217 123.084 122.820 0.078 0.000 2.313 222 A HA 0.449 3.921 4.320 -1.413 0.000 0.261 222 A C 0.243 177.882 177.584 0.091 0.000 1.090 222 A CA -0.434 51.641 52.037 0.062 0.000 0.807 222 A CB 0.346 19.398 19.000 0.087 0.000 1.055 222 A HN 0.322 nan 8.150 nan 0.000 0.492 223 N N 0.158 118.871 118.700 0.021 0.000 2.513 223 N HA 0.406 4.298 4.740 -1.413 0.000 0.268 223 N C 0.164 175.855 175.510 0.302 0.000 1.180 223 N CA 0.713 53.834 53.050 0.119 0.000 0.948 223 N CB 0.930 39.478 38.487 0.101 0.000 1.083 223 N HN 0.788 nan 8.380 nan 0.000 0.455 224 T N -1.287 113.477 114.554 0.350 0.000 2.926 224 T HA 0.755 4.257 4.350 -1.413 0.000 0.289 224 T C -0.903 173.995 174.700 0.329 0.000 1.054 224 T CA -0.984 61.374 62.100 0.430 0.000 1.015 224 T CB 1.759 70.781 68.868 0.256 0.000 1.167 224 T HN 0.638 nan 8.240 nan 0.000 0.526 225 K N -0.331 120.207 120.400 0.231 0.000 2.639 225 K HA 0.478 3.950 4.320 -1.413 0.000 0.279 225 K C -1.628 174.998 176.600 0.044 0.000 0.976 225 K CA -0.904 55.414 56.287 0.052 0.000 0.861 225 K CB 1.196 33.626 32.500 -0.116 0.000 1.436 225 K HN 0.564 nan 8.250 nan 0.000 0.400 226 T N 1.386 115.949 114.554 0.014 0.000 2.829 226 T HA 0.568 4.070 4.350 -1.413 0.000 0.282 226 T C -0.349 174.351 174.700 -0.000 0.000 0.990 226 T CA -0.598 61.520 62.100 0.031 0.000 1.028 226 T CB 1.213 70.090 68.868 0.015 0.000 0.951 226 T HN 0.581 nan 8.240 nan 0.000 0.460 227 V N 0.218 120.157 119.914 0.043 0.000 3.007 227 V HA 0.907 4.179 4.120 -1.413 0.000 0.311 227 V C 0.093 176.225 176.094 0.064 0.000 1.120 227 V CA -1.149 61.173 62.300 0.037 0.000 0.980 227 V CB 1.599 33.445 31.823 0.037 0.000 1.033 227 V HN 0.956 nan 8.190 nan 0.000 0.429 228 T N -0.848 113.724 114.554 0.031 0.000 2.862 228 T HA 0.389 3.891 4.350 -1.413 0.000 0.276 228 T C 0.742 175.508 174.700 0.109 0.000 0.974 228 T CA 0.357 62.453 62.100 -0.007 0.000 0.966 228 T CB 1.326 70.177 68.868 -0.028 0.000 1.072 228 T HN 0.946 nan 8.240 nan 0.000 0.538 229 D N 0.082 120.542 120.400 0.099 0.000 2.178 229 D HA -0.102 3.690 4.640 -1.413 0.000 0.202 229 D C 1.642 178.035 176.300 0.156 0.000 0.974 229 D CA 0.922 55.080 54.000 0.264 0.000 0.841 229 D CB -0.216 40.737 40.800 0.255 0.000 0.953 229 D HN 0.341 nan 8.370 nan 0.000 0.478 230 K N 0.812 121.260 120.400 0.080 0.000 2.002 230 K HA -0.104 3.368 4.320 -1.413 0.000 0.209 230 K C 2.187 178.815 176.600 0.047 0.000 1.048 230 K CA 1.126 57.444 56.287 0.052 0.000 0.930 230 K CB -0.441 32.074 32.500 0.024 0.000 0.714 230 K HN 0.425 nan 8.250 nan 0.000 0.438 231 E N 0.081 120.305 120.200 0.040 0.000 2.058 231 E HA -0.080 3.422 4.350 -1.413 0.000 0.194 231 E C 0.824 177.443 176.600 0.032 0.000 0.997 231 E CA 0.840 57.253 56.400 0.021 0.000 0.801 231 E CB -0.112 29.592 29.700 0.007 0.000 0.746 231 E HN 0.427 nan 8.360 nan 0.000 0.450 232 G N 0.525 109.371 108.800 0.077 0.000 2.712 232 G HA2 -0.217 2.894 3.960 -1.413 0.000 0.683 232 G HA3 -0.217 2.894 3.960 -1.413 0.000 0.683 232 G C -0.549 174.377 174.900 0.043 0.000 1.320 232 G CA -0.470 44.679 45.100 0.082 0.000 0.847 232 G HN 0.141 nan 8.290 nan 0.000 0.553 233 I N 2.418 123.001 120.570 0.022 0.000 2.336 233 I HA 0.385 3.707 4.170 -1.413 0.000 0.292 233 I C -1.629 174.473 176.117 -0.024 0.000 0.991 233 I CA -2.017 59.271 61.300 -0.020 0.000 1.227 233 I CB 1.966 39.930 38.000 -0.059 0.000 1.366 233 I HN 0.388 nan 8.210 nan 0.000 0.466 234 P HA 0.215 nan 4.420 nan 0.000 0.278 234 P C -0.629 176.763 177.300 0.154 0.000 1.266 234 P CA -0.488 62.619 63.100 0.012 0.000 0.807 234 P CB 0.874 32.524 31.700 -0.084 0.000 1.094 235 A N 0.165 123.068 122.820 0.139 0.000 2.511 235 A HA 0.441 3.913 4.320 -1.413 0.000 0.242 235 A C 1.374 179.097 177.584 0.232 0.000 1.069 235 A CA 0.805 52.922 52.037 0.132 0.000 0.763 235 A CB -1.564 17.483 19.000 0.078 0.000 1.001 235 A HN 0.891 nan 8.150 nan 0.000 0.498 236 G N 0.367 109.244 108.800 0.128 0.000 2.176 236 G HA2 -0.215 2.897 3.960 -1.413 0.000 0.232 236 G HA3 -0.215 2.897 3.960 -1.413 0.000 0.232 236 G C -0.240 174.563 174.900 -0.161 0.000 0.986 236 G CA 0.283 45.378 45.100 -0.009 0.000 0.643 236 G HN 0.858 nan 8.290 nan 0.000 0.522 237 W N 0.615 121.891 121.300 -0.041 0.000 2.929 237 W HA 0.784 4.596 4.660 -1.412 0.000 0.345 237 W C 0.144 176.593 176.519 -0.116 0.000 1.151 237 W CA -0.369 56.944 57.345 -0.053 0.000 1.111 237 W CB 1.064 30.507 29.460 -0.028 0.000 1.449 237 W HN 0.396 nan 8.180 nan 0.000 0.572 238 Q N 0.639 120.497 119.800 0.096 0.000 2.472 238 Q HA 0.602 4.094 4.340 -1.413 0.000 0.281 238 Q C -0.563 175.349 176.000 -0.147 0.000 0.997 238 Q CA -1.061 54.656 55.803 -0.143 0.000 0.828 238 Q CB 1.695 30.322 28.738 -0.187 0.000 1.443 238 Q HN 0.622 nan 8.270 nan 0.000 0.390 239 G N 1.419 110.017 108.800 -0.336 0.000 2.403 239 G HA2 0.470 3.582 3.960 -1.413 0.000 0.259 239 G HA3 0.470 3.582 3.960 -1.413 0.000 0.259 239 G C 0.127 175.040 174.900 0.021 0.000 1.244 239 G CA -0.470 44.637 45.100 0.012 0.000 0.849 239 G HN 0.574 nan 8.290 nan 0.000 0.532 240 L N 0.923 122.172 121.223 0.044 0.000 3.086 240 L HA 0.337 3.829 4.340 -1.413 0.000 0.274 240 L C -0.104 176.865 176.870 0.165 0.000 1.184 240 L CA 0.042 54.779 54.840 -0.171 0.000 1.002 240 L CB 0.747 42.237 42.059 -0.949 0.000 1.383 240 L HN 0.502 nan 8.230 nan 0.000 0.582 241 D N -1.383 119.222 120.400 0.341 0.000 2.648 241 D HA 0.193 3.985 4.640 -1.413 0.000 0.244 241 D C -0.790 175.691 176.300 0.302 0.000 1.244 241 D CA -0.536 53.670 54.000 0.343 0.000 0.772 241 D CB 1.330 42.361 40.800 0.384 0.000 1.379 241 D HN -0.272 nan 8.370 nan 0.000 0.428 242 N N -0.169 118.641 118.700 0.184 0.000 2.374 242 N HA 0.392 4.284 4.740 -1.413 0.000 0.241 242 N C 0.066 175.559 175.510 -0.029 0.000 1.262 242 N CA 0.663 53.717 53.050 0.007 0.000 0.880 242 N CB 0.741 39.168 38.487 -0.100 0.000 1.105 242 N HN 0.415 nan 8.380 nan 0.000 0.438 243 G N 1.369 110.064 108.800 -0.175 0.000 2.488 243 G HA2 0.342 3.454 3.960 -1.413 0.000 0.318 243 G HA3 0.342 3.454 3.960 -1.413 0.000 0.318 243 G C -1.700 173.091 174.900 -0.180 0.000 1.188 243 G CA -1.114 43.897 45.100 -0.149 0.000 0.944 243 G HN 0.380 nan 8.290 nan 0.000 0.495 244 P HA -0.095 nan 4.420 nan 0.000 0.218 244 P C 1.450 178.659 177.300 -0.151 0.000 1.146 244 P CA 1.042 64.070 63.100 -0.120 0.000 0.813 244 P CB 0.409 32.060 31.700 -0.082 0.000 0.778 245 E N -1.306 118.785 120.200 -0.181 0.000 2.190 245 E HA 0.031 3.533 4.350 -1.413 0.000 0.191 245 E C 2.031 178.477 176.600 -0.256 0.000 0.978 245 E CA 0.716 57.007 56.400 -0.182 0.000 0.839 245 E CB -0.753 28.854 29.700 -0.156 0.000 0.787 245 E HN 0.201 nan 8.360 nan 0.000 0.473 246 S N 1.364 116.836 115.700 -0.381 0.000 2.399 246 S HA -0.101 3.521 4.470 -1.413 0.000 0.231 246 S C 1.898 176.045 174.600 -0.756 0.000 1.022 246 S CA 0.867 58.691 58.200 -0.625 0.000 0.983 246 S CB -0.083 62.630 63.200 -0.813 0.000 0.803 246 S HN 0.235 nan 8.310 nan 0.000 0.480 247 R N 1.447 121.655 120.500 -0.487 0.000 2.075 247 R HA 0.001 3.493 4.340 -1.413 0.000 0.232 247 R C 2.258 178.457 176.300 -0.169 0.000 1.126 247 R CA 1.180 57.086 56.100 -0.324 0.000 0.963 247 R CB -0.231 29.951 30.300 -0.197 0.000 0.858 247 R HN 0.363 nan 8.270 nan 0.000 0.435 248 K N 0.526 120.840 120.400 -0.144 0.000 2.097 248 K HA -0.124 3.348 4.320 -1.413 0.000 0.205 248 K C 2.040 178.613 176.600 -0.046 0.000 1.050 248 K CA 0.932 57.171 56.287 -0.080 0.000 0.938 248 K CB -0.198 32.256 32.500 -0.076 0.000 0.718 248 K HN 0.046 nan 8.250 nan 0.000 0.442 249 L N 0.486 121.673 121.223 -0.059 0.000 2.056 249 L HA -0.089 3.403 4.340 -1.413 0.000 0.207 249 L C 1.848 178.828 176.870 0.183 0.000 1.078 249 L CA 1.718 56.577 54.840 0.031 0.000 0.749 249 L CB -0.408 41.659 42.059 0.014 0.000 0.901 249 L HN -0.020 nan 8.230 nan 0.000 0.433 250 F N 0.361 120.245 119.950 -0.111 0.000 2.163 250 F HA 0.052 3.728 4.527 -1.418 0.000 0.297 250 F C 2.652 178.371 175.800 -0.136 0.000 1.094 250 F CA 0.618 58.538 58.000 -0.135 0.000 1.290 250 F CB -1.758 37.148 39.000 -0.157 0.000 1.017 250 F HN 0.226 nan 8.300 nan 0.000 0.483 251 A N 0.215 123.085 122.820 0.083 0.000 1.908 251 A HA -0.086 3.386 4.320 -1.413 0.000 0.218 251 A C 2.496 180.071 177.584 -0.015 0.000 1.181 251 A CA 2.025 54.060 52.037 -0.003 0.000 0.627 251 A CB -1.209 17.776 19.000 -0.025 0.000 0.818 251 A HN 0.284 nan 8.150 nan 0.000 0.445 252 A N -0.989 121.829 122.820 -0.004 0.000 1.902 252 A HA -0.075 3.397 4.320 -1.413 0.000 0.217 252 A C 2.313 179.884 177.584 -0.021 0.000 1.181 252 A CA 2.283 54.312 52.037 -0.013 0.000 0.623 252 A CB -1.252 17.743 19.000 -0.008 0.000 0.818 252 A HN 0.446 nan 8.150 nan 0.000 0.443 253 T N -0.387 114.154 114.554 -0.023 0.000 2.777 253 T HA -0.095 3.406 4.350 -1.413 0.000 0.266 253 T C 1.851 176.509 174.700 -0.070 0.000 1.040 253 T CA 1.471 63.539 62.100 -0.054 0.000 1.141 253 T CB -0.412 68.405 68.868 -0.085 0.000 0.868 253 T HN 0.138 nan 8.240 nan 0.000 0.444 254 V N 1.767 121.633 119.914 -0.079 0.000 2.407 254 V HA -0.150 3.122 4.120 -1.413 0.000 0.248 254 V C 2.906 178.966 176.094 -0.057 0.000 1.055 254 V CA 1.597 63.843 62.300 -0.090 0.000 1.049 254 V CB -1.178 30.577 31.823 -0.114 0.000 0.662 254 V HN 0.535 nan 8.190 nan 0.000 0.455 255 A N -0.739 122.055 122.820 -0.044 0.000 1.972 255 A HA -0.191 3.281 4.320 -1.413 0.000 0.219 255 A C 2.228 179.798 177.584 -0.024 0.000 1.169 255 A CA 1.471 53.489 52.037 -0.031 0.000 0.635 255 A CB -0.356 18.628 19.000 -0.027 0.000 0.810 255 A HN 0.378 nan 8.150 nan 0.000 0.446 256 K N -0.036 120.349 120.400 -0.026 0.000 2.365 256 K HA 0.151 3.623 4.320 -1.413 0.000 0.199 256 K C 0.900 177.494 176.600 -0.011 0.000 1.045 256 K CA 0.738 57.014 56.287 -0.019 0.000 0.962 256 K CB -0.572 31.915 32.500 -0.022 0.000 0.759 256 K HN 0.483 nan 8.250 nan 0.000 0.469 257 A N 1.133 123.946 122.820 -0.012 0.000 2.322 257 A HA 0.219 3.691 4.320 -1.413 0.000 0.269 257 A C 0.815 178.409 177.584 0.017 0.000 1.094 257 A CA -0.180 51.863 52.037 0.010 0.000 0.807 257 A CB 0.682 19.691 19.000 0.014 0.000 1.047 257 A HN 0.066 nan 8.150 nan 0.000 0.487 258 K N -0.221 120.199 120.400 0.034 0.000 2.365 258 K HA 0.130 3.602 4.320 -1.413 0.000 0.195 258 K C -0.442 176.171 176.600 0.021 0.000 1.079 258 K CA 0.742 57.041 56.287 0.020 0.000 0.979 258 K CB 0.692 33.198 32.500 0.010 0.000 0.929 258 K HN 0.674 nan 8.250 nan 0.000 0.523 259 T N 1.443 116.034 114.554 0.061 0.000 2.881 259 T HA 0.521 4.023 4.350 -1.413 0.000 0.290 259 T C -0.714 174.110 174.700 0.206 0.000 1.000 259 T CA -0.499 61.633 62.100 0.053 0.000 0.978 259 T CB 1.763 70.561 68.868 -0.116 0.000 0.997 259 T HN -0.050 nan 8.240 nan 0.000 0.443 260 I N 2.468 123.132 120.570 0.157 0.000 2.545 260 I HA 0.567 3.889 4.170 -1.413 0.000 0.292 260 I C -0.873 175.365 176.117 0.200 0.000 1.040 260 I CA -1.189 60.215 61.300 0.174 0.000 1.068 260 I CB 2.374 40.415 38.000 0.069 0.000 1.251 260 I HN 0.258 nan 8.210 nan 0.000 0.424 261 V N 4.922 124.983 119.914 0.245 0.000 2.376 261 V HA 0.276 3.548 4.120 -1.413 0.000 0.287 261 V C -1.121 175.128 176.094 0.258 0.000 1.015 261 V CA -0.413 62.029 62.300 0.237 0.000 0.834 261 V CB 1.717 33.729 31.823 0.314 0.000 1.001 261 V HN 0.602 nan 8.190 nan 0.000 0.428 262 W N 6.013 127.331 121.300 0.029 0.000 2.349 262 W HA 0.477 4.287 4.660 -1.416 0.000 0.309 262 W C -0.031 176.511 176.519 0.038 0.000 1.083 262 W CA -1.157 56.193 57.345 0.008 0.000 1.224 262 W CB 0.998 30.450 29.460 -0.014 0.000 1.256 262 W HN 0.555 nan 8.180 nan 0.000 0.461 263 N N 4.514 123.428 118.700 0.356 0.000 2.750 263 N HA 0.397 4.289 4.740 -1.413 0.000 0.253 263 N C -0.755 174.822 175.510 0.113 0.000 1.408 263 N CA 0.248 53.370 53.050 0.121 0.000 0.780 263 N CB 0.534 39.108 38.487 0.145 0.000 1.191 263 N HN 0.695 nan 8.380 nan 0.000 0.511 264 G N 2.607 111.399 108.800 -0.014 0.000 3.239 264 G HA2 -0.095 3.017 3.960 -1.413 0.000 0.666 264 G HA3 -0.095 3.017 3.960 -1.413 0.000 0.666 264 G C -3.452 171.615 174.900 0.279 0.000 1.313 264 G CA -1.028 44.126 45.100 0.090 0.000 1.001 264 G HN 0.209 nan 8.290 nan 0.000 0.573 265 P HA 0.264 nan 4.420 nan 0.000 0.274 265 P C -1.454 176.082 177.300 0.394 0.000 1.231 265 P CA -1.469 61.867 63.100 0.394 0.000 0.790 265 P CB 0.838 32.686 31.700 0.247 0.000 0.951 266 P HA -0.038 nan 4.420 nan 0.000 0.225 266 P C 0.522 178.002 177.300 0.301 0.000 1.148 266 P CA 1.318 64.625 63.100 0.345 0.000 0.779 266 P CB 0.230 32.148 31.700 0.363 0.000 0.780 267 G N -1.231 107.761 108.800 0.321 0.000 2.682 267 G HA2 0.326 3.438 3.960 -1.413 0.000 0.303 267 G HA3 0.326 3.438 3.960 -1.413 0.000 0.303 267 G C -1.347 173.739 174.900 0.310 0.000 1.341 267 G CA -0.449 44.827 45.100 0.293 0.000 0.784 267 G HN -0.209 nan 8.290 nan 0.000 0.497 268 V N 2.495 122.545 119.914 0.227 0.000 2.149 268 V HA 0.119 3.391 4.120 -1.413 0.000 0.245 268 V C 1.458 177.668 176.094 0.193 0.000 1.349 268 V CA 0.158 62.522 62.300 0.107 0.000 1.289 268 V CB -1.450 30.297 31.823 -0.128 0.000 1.401 268 V HN 0.621 nan 8.190 nan 0.000 0.501 269 F N 1.425 121.481 119.950 0.177 0.000 2.333 269 F HA -0.098 3.633 4.527 -1.328 0.000 0.300 269 F C 1.632 177.548 175.800 0.194 0.000 1.083 269 F CA 1.085 59.216 58.000 0.219 0.000 1.395 269 F CB -0.455 38.685 39.000 0.235 0.000 1.056 269 F HN 0.367 nan 8.300 nan 0.000 0.529 270 E N 0.204 119.991 120.200 -0.688 0.000 2.204 270 E HA -0.072 3.430 4.350 -1.413 0.000 0.195 270 E C 0.088 176.771 176.600 0.138 0.000 0.990 270 E CA 0.676 56.800 56.400 -0.461 0.000 0.821 270 E CB -0.254 29.117 29.700 -0.549 0.000 0.750 270 E HN 0.272 nan 8.360 nan 0.000 0.477 271 F N 1.326 121.335 119.950 0.098 0.000 2.391 271 F HA 0.179 4.804 4.527 0.163 0.000 0.359 271 F C 1.082 176.983 175.800 0.168 0.000 1.122 271 F CA -1.484 56.648 58.000 0.220 0.000 1.120 271 F CB 1.156 40.465 39.000 0.516 0.000 1.142 271 F HN -0.148 nan 8.300 nan 0.000 0.483 272 E N 1.914 122.277 120.200 0.272 0.000 2.136 272 E HA -0.255 3.247 4.350 -1.413 0.000 0.202 272 E C 1.621 178.242 176.600 0.035 0.000 1.019 272 E CA 1.802 58.286 56.400 0.140 0.000 0.819 272 E CB -0.161 29.583 29.700 0.073 0.000 0.739 272 E HN 0.529 nan 8.360 nan 0.000 0.458 273 K N -0.629 119.691 120.400 -0.133 0.000 2.217 273 K HA -0.001 3.471 4.320 -1.413 0.000 0.202 273 K C 0.491 176.671 176.600 -0.699 0.000 1.051 273 K CA 0.727 56.692 56.287 -0.537 0.000 0.952 273 K CB 0.090 31.965 32.500 -1.041 0.000 0.736 273 K HN 0.191 nan 8.250 nan 0.000 0.453 274 F N -0.799 119.284 119.950 0.221 0.000 2.772 274 F HA 0.301 3.977 4.527 -1.418 0.000 0.302 274 F C 1.127 177.063 175.800 0.227 0.000 1.136 274 F CA -0.480 57.642 58.000 0.203 0.000 1.322 274 F CB 0.539 39.656 39.000 0.195 0.000 0.967 274 F HN -0.135 nan 8.300 nan 0.000 0.513 275 A N -0.233 122.762 122.820 0.292 0.000 2.348 275 A HA 0.539 4.011 4.320 -1.413 0.000 0.224 275 A C 2.191 179.929 177.584 0.258 0.000 1.227 275 A CA 0.814 53.063 52.037 0.354 0.000 0.885 275 A CB -0.393 18.854 19.000 0.411 0.000 0.933 275 A HN 0.264 nan 8.150 nan 0.000 0.506 276 A N 0.162 123.080 122.820 0.163 0.000 1.883 276 A HA 0.073 3.545 4.320 -1.413 0.000 0.217 276 A C 2.291 179.920 177.584 0.074 0.000 1.186 276 A CA 1.910 54.000 52.037 0.089 0.000 0.624 276 A CB -1.239 17.790 19.000 0.048 0.000 0.822 276 A HN 0.731 nan 8.150 nan 0.000 0.444 277 G N -1.591 107.271 108.800 0.103 0.000 2.443 277 G HA2 -0.075 3.037 3.960 -1.413 0.000 0.219 277 G HA3 -0.075 3.037 3.960 -1.413 0.000 0.219 277 G C 1.490 176.462 174.900 0.119 0.000 1.131 277 G CA 1.606 46.750 45.100 0.073 0.000 0.775 277 G HN 0.454 nan 8.290 nan 0.000 0.547 278 T N 0.437 115.109 114.554 0.197 0.000 2.851 278 T HA -0.020 3.481 4.350 -1.413 0.000 0.262 278 T C 2.316 177.105 174.700 0.148 0.000 1.043 278 T CA 1.424 63.677 62.100 0.255 0.000 1.140 278 T CB -0.048 69.021 68.868 0.335 0.000 0.872 278 T HN 0.301 nan 8.240 nan 0.000 0.446 279 K N 2.176 122.591 120.400 0.023 0.000 2.097 279 K HA 0.169 3.641 4.320 -1.413 0.000 0.205 279 K C 2.173 178.691 176.600 -0.136 0.000 1.050 279 K CA 1.379 57.519 56.287 -0.245 0.000 0.938 279 K CB -0.811 31.482 32.500 -0.346 0.000 0.718 279 K HN 0.225 nan 8.250 nan 0.000 0.442 280 A N 0.904 123.689 122.820 -0.059 0.000 1.845 280 A HA -0.122 3.350 4.320 -1.413 0.000 0.215 280 A C 2.125 179.668 177.584 -0.068 0.000 1.195 280 A CA 1.700 53.702 52.037 -0.059 0.000 0.616 280 A CB -0.979 17.993 19.000 -0.046 0.000 0.832 280 A HN 0.354 nan 8.150 nan 0.000 0.443 281 L N -0.277 120.909 121.223 -0.061 0.000 2.012 281 L HA -0.147 3.345 4.340 -1.413 0.000 0.210 281 L C 2.253 178.967 176.870 -0.261 0.000 1.073 281 L CA 1.846 56.575 54.840 -0.186 0.000 0.748 281 L CB -0.593 41.312 42.059 -0.258 0.000 0.891 281 L HN 0.459 nan 8.230 nan 0.000 0.431 282 L N -0.901 120.288 121.223 -0.057 0.000 2.083 282 L HA -0.233 3.259 4.340 -1.413 0.000 0.209 282 L C 1.959 178.841 176.870 0.019 0.000 1.083 282 L CA 2.029 56.957 54.840 0.146 0.000 0.752 282 L CB -0.800 41.408 42.059 0.249 0.000 0.899 282 L HN 0.351 nan 8.230 nan 0.000 0.433 283 D N -0.189 120.181 120.400 -0.050 0.000 2.178 283 D HA -0.159 3.633 4.640 -1.413 0.000 0.202 283 D C 2.123 178.394 176.300 -0.048 0.000 0.974 283 D CA 0.815 54.783 54.000 -0.053 0.000 0.841 283 D CB 0.179 40.938 40.800 -0.069 0.000 0.953 283 D HN 0.378 nan 8.370 nan 0.000 0.478 284 E N 0.341 120.496 120.200 -0.074 0.000 2.046 284 E HA -0.057 3.445 4.350 -1.413 0.000 0.190 284 E C 2.393 178.950 176.600 -0.073 0.000 0.982 284 E CA 0.149 56.502 56.400 -0.079 0.000 0.800 284 E CB -0.652 28.984 29.700 -0.107 0.000 0.756 284 E HN 0.111 nan 8.360 nan 0.000 0.449 285 V N 1.117 120.976 119.914 -0.092 0.000 2.407 285 V HA -0.207 3.065 4.120 -1.413 0.000 0.248 285 V C 2.389 178.487 176.094 0.006 0.000 1.055 285 V CA 1.207 63.478 62.300 -0.048 0.000 1.049 285 V CB -0.193 31.618 31.823 -0.020 0.000 0.662 285 V HN 0.051 nan 8.190 nan 0.000 0.455 286 V N -0.489 119.434 119.914 0.015 0.000 2.307 286 V HA -0.252 3.020 4.120 -1.413 0.000 0.245 286 V C 2.374 178.470 176.094 0.004 0.000 1.045 286 V CA 2.063 64.374 62.300 0.019 0.000 1.024 286 V CB -0.705 31.131 31.823 0.021 0.000 0.651 286 V HN 0.527 nan 8.190 nan 0.000 0.449 287 K N 0.250 120.645 120.400 -0.008 0.000 2.074 287 K HA -0.234 3.238 4.320 -1.413 0.000 0.209 287 K C 2.511 179.105 176.600 -0.010 0.000 1.048 287 K CA 1.854 58.134 56.287 -0.012 0.000 0.926 287 K CB -0.466 32.022 32.500 -0.020 0.000 0.713 287 K HN 0.433 nan 8.250 nan 0.000 0.444 288 S N 0.956 116.648 115.700 -0.013 0.000 2.359 288 S HA -0.173 3.449 4.470 -1.413 0.000 0.224 288 S C 2.074 176.673 174.600 -0.001 0.000 1.035 288 S CA 2.129 60.323 58.200 -0.011 0.000 1.018 288 S CB -0.286 62.904 63.200 -0.016 0.000 0.876 288 S HN 0.445 nan 8.310 nan 0.000 0.448 289 S N 1.356 117.059 115.700 0.005 0.000 2.428 289 S HA 0.210 3.832 4.470 -1.413 0.000 0.230 289 S C 2.076 176.681 174.600 0.007 0.000 1.014 289 S CA 0.869 59.075 58.200 0.010 0.000 0.957 289 S CB -0.755 62.455 63.200 0.015 0.000 0.784 289 S HN 0.693 nan 8.310 nan 0.000 0.499 290 A N 2.203 125.026 122.820 0.005 0.000 1.902 290 A HA 0.339 3.811 4.320 -1.413 0.000 0.217 290 A C 2.348 179.932 177.584 0.001 0.000 1.181 290 A CA 1.476 53.515 52.037 0.003 0.000 0.623 290 A CB -1.329 17.671 19.000 0.001 0.000 0.818 290 A HN 0.891 nan 8.150 nan 0.000 0.443 291 A N -1.737 121.082 122.820 -0.002 0.000 2.255 291 A HA 0.391 3.863 4.320 -1.413 0.000 0.206 291 A C 1.743 179.326 177.584 -0.002 0.000 1.193 291 A CA 1.260 53.295 52.037 -0.004 0.000 0.794 291 A CB -1.141 17.855 19.000 -0.006 0.000 0.794 291 A HN 1.935 nan 8.150 nan 0.000 0.481 292 G N -0.990 107.810 108.800 0.000 0.000 2.175 292 G HA2 -0.258 2.854 3.960 -1.413 0.000 0.244 292 G HA3 -0.258 2.854 3.960 -1.413 0.000 0.244 292 G C 0.051 174.952 174.900 0.002 0.000 0.982 292 G CA 0.159 45.259 45.100 0.001 0.000 0.641 292 G HN 0.652 nan 8.290 nan 0.000 0.527 293 N N 0.099 118.801 118.700 0.003 0.000 2.408 293 N HA 0.511 4.403 4.740 -1.413 0.000 0.260 293 N C -0.006 175.512 175.510 0.013 0.000 1.242 293 N CA 0.383 53.436 53.050 0.005 0.000 0.959 293 N CB 0.499 38.989 38.487 0.004 0.000 1.201 293 N HN 0.038 nan 8.380 nan 0.000 0.511 294 T N 1.108 115.669 114.554 0.012 0.000 2.794 294 T HA 0.298 3.800 4.350 -1.413 0.000 0.304 294 T C -0.647 174.068 174.700 0.026 0.000 0.973 294 T CA -0.415 61.700 62.100 0.024 0.000 0.972 294 T CB -0.114 68.758 68.868 0.008 0.000 0.952 294 T HN 0.086 nan 8.240 nan 0.000 0.509 295 V N 6.252 126.181 119.914 0.024 0.000 2.357 295 V HA 0.504 3.776 4.120 -1.413 0.000 0.284 295 V C -0.061 176.027 176.094 -0.009 0.000 1.018 295 V CA -0.807 61.510 62.300 0.030 0.000 0.841 295 V CB 1.248 33.096 31.823 0.042 0.000 0.991 295 V HN 0.769 nan 8.190 nan 0.000 0.437 296 I N 5.775 126.335 120.570 -0.016 0.000 2.389 296 I HA 0.485 3.806 4.170 -1.413 0.000 0.288 296 I C -0.478 175.628 176.117 -0.019 0.000 0.999 296 I CA -0.387 60.844 61.300 -0.115 0.000 1.129 296 I CB 1.991 39.832 38.000 -0.266 0.000 1.288 296 I HN 0.432 nan 8.210 nan 0.000 0.444 297 I N 5.447 125.986 120.570 -0.050 0.000 2.312 297 I HA 0.346 3.668 4.170 -1.413 0.000 0.290 297 I C 0.955 177.078 176.117 0.010 0.000 1.008 297 I CA 0.020 61.310 61.300 -0.017 0.000 1.226 297 I CB 1.469 39.404 38.000 -0.108 0.000 1.371 297 I HN 0.704 nan 8.210 nan 0.000 0.468 298 G N 3.804 112.671 108.800 0.111 0.000 2.666 298 G HA2 0.557 3.669 3.960 -1.413 0.000 0.207 298 G HA3 0.557 3.669 3.960 -1.413 0.000 0.207 298 G C 0.467 175.400 174.900 0.054 0.000 1.481 298 G CA 0.046 45.297 45.100 0.252 0.000 1.071 298 G HN 0.870 nan 8.290 nan 0.000 0.572 299 G N -1.428 107.398 108.800 0.043 0.000 2.595 299 G HA2 0.190 3.302 3.960 -1.413 0.000 0.382 299 G HA3 0.190 3.302 3.960 -1.413 0.000 0.382 299 G C 1.101 175.981 174.900 -0.034 0.000 1.327 299 G CA 0.622 45.709 45.100 -0.021 0.000 0.916 299 G HN 1.696 nan 8.290 nan 0.000 0.547 300 G N -2.229 106.550 108.800 -0.035 0.000 2.748 300 G HA2 0.254 3.366 3.960 -1.413 0.000 0.204 300 G HA3 0.254 3.366 3.960 -1.413 0.000 0.204 300 G C 1.139 176.024 174.900 -0.024 0.000 1.095 300 G CA 1.535 46.622 45.100 -0.021 0.000 0.775 300 G HN 0.711 nan 8.290 nan 0.000 0.531 301 D N 1.284 121.671 120.400 -0.022 0.000 2.078 301 D HA -0.095 3.697 4.640 -1.413 0.000 0.193 301 D C 2.602 178.820 176.300 -0.136 0.000 0.990 301 D CA 1.720 55.731 54.000 0.020 0.000 0.827 301 D CB -0.195 40.628 40.800 0.037 0.000 0.975 301 D HN 0.191 nan 8.370 nan 0.000 0.451 302 T N 0.019 114.390 114.554 -0.305 0.000 2.821 302 T HA -0.038 3.464 4.350 -1.413 0.000 0.267 302 T C 1.956 176.364 174.700 -0.486 0.000 1.046 302 T CA 1.434 63.151 62.100 -0.638 0.000 1.139 302 T CB -0.456 67.894 68.868 -0.864 0.000 0.871 302 T HN 0.229 nan 8.240 nan 0.000 0.454 303 A N 1.456 124.110 122.820 -0.276 0.000 1.972 303 A HA -0.113 3.359 4.320 -1.413 0.000 0.219 303 A C 2.518 180.020 177.584 -0.137 0.000 1.169 303 A CA 1.844 53.772 52.037 -0.182 0.000 0.635 303 A CB -1.196 17.739 19.000 -0.108 0.000 0.810 303 A HN 0.460 nan 8.150 nan 0.000 0.446 304 T N -0.267 114.224 114.554 -0.104 0.000 2.867 304 T HA -0.084 3.418 4.350 -1.413 0.000 0.268 304 T C 1.862 176.510 174.700 -0.087 0.000 1.057 304 T CA 1.482 63.570 62.100 -0.020 0.000 1.136 304 T CB -0.332 68.615 68.868 0.132 0.000 0.874 304 T HN 0.233 nan 8.240 nan 0.000 0.466 305 V N 1.818 121.549 119.914 -0.306 0.000 2.307 305 V HA -0.124 3.148 4.120 -1.413 0.000 0.245 305 V C 2.930 178.987 176.094 -0.061 0.000 1.045 305 V CA 1.569 63.652 62.300 -0.361 0.000 1.024 305 V CB -1.360 30.079 31.823 -0.640 0.000 0.651 305 V HN 0.495 nan 8.190 nan 0.000 0.449 306 A N 0.706 123.464 122.820 -0.104 0.000 1.883 306 A HA -0.296 3.176 4.320 -1.413 0.000 0.217 306 A C 2.356 179.953 177.584 0.021 0.000 1.186 306 A CA 2.460 54.494 52.037 -0.005 0.000 0.624 306 A CB -0.523 18.443 19.000 -0.057 0.000 0.822 306 A HN 0.622 nan 8.150 nan 0.000 0.444 307 K N 0.068 120.455 120.400 -0.022 0.000 2.057 307 K HA -0.162 3.310 4.320 -1.413 0.000 0.206 307 K C 2.125 178.710 176.600 -0.025 0.000 1.050 307 K CA 1.700 57.979 56.287 -0.013 0.000 0.935 307 K CB -0.262 32.227 32.500 -0.018 0.000 0.715 307 K HN 0.379 nan 8.250 nan 0.000 0.439 308 K N -0.268 120.084 120.400 -0.080 0.000 2.074 308 K HA -0.207 3.265 4.320 -1.413 0.000 0.209 308 K C 1.102 177.529 176.600 -0.289 0.000 1.048 308 K CA 1.771 57.928 56.287 -0.215 0.000 0.926 308 K CB -0.149 32.142 32.500 -0.347 0.000 0.713 308 K HN 0.321 nan 8.250 nan 0.000 0.444 309 Y N -0.482 119.841 120.300 0.039 0.000 2.457 309 Y HA 0.260 3.960 4.550 -1.416 0.000 0.263 309 Y C 0.975 176.891 175.900 0.028 0.000 1.164 309 Y CA 0.245 58.369 58.100 0.040 0.000 1.274 309 Y CB 0.772 39.257 38.460 0.043 0.000 1.097 309 Y HN 0.293 nan 8.280 nan 0.000 0.523 310 G N 1.137 110.011 108.800 0.123 0.000 2.324 310 G HA2 -0.193 2.919 3.960 -1.413 0.000 0.292 310 G HA3 -0.193 2.919 3.960 -1.413 0.000 0.292 310 G C 0.194 175.140 174.900 0.076 0.000 1.079 310 G CA 0.576 45.724 45.100 0.079 0.000 1.026 310 G HN 0.652 nan 8.290 nan 0.000 0.506 311 V N -3.626 116.333 119.914 0.076 0.000 3.111 311 V HA 0.363 3.635 4.120 -1.413 0.000 0.343 311 V C 1.699 177.813 176.094 0.034 0.000 1.417 311 V CA 1.027 63.361 62.300 0.058 0.000 1.142 311 V CB -0.070 31.796 31.823 0.072 0.000 1.114 311 V HN 0.194 nan 8.190 nan 0.000 0.520 312 T N 1.927 116.492 114.554 0.019 0.000 2.759 312 T HA -0.187 3.315 4.350 -1.413 0.000 0.269 312 T C 1.560 176.256 174.700 -0.007 0.000 1.042 312 T CA 2.293 64.390 62.100 -0.006 0.000 1.140 312 T CB -0.368 68.491 68.868 -0.016 0.000 0.864 312 T HN 0.886 nan 8.240 nan 0.000 0.455 313 D N 1.418 121.821 120.400 0.006 0.000 2.348 313 D HA -0.090 3.702 4.640 -1.413 0.000 0.216 313 D C 1.507 177.813 176.300 0.009 0.000 0.970 313 D CA 0.633 54.637 54.000 0.007 0.000 0.889 313 D CB -0.140 40.667 40.800 0.012 0.000 0.912 313 D HN 0.350 nan 8.370 nan 0.000 0.524 314 K N -0.092 120.315 120.400 0.013 0.000 2.400 314 K HA 0.136 3.608 4.320 -1.413 0.000 0.194 314 K C 0.699 177.306 176.600 0.013 0.000 1.033 314 K CA 0.037 56.333 56.287 0.016 0.000 1.021 314 K CB 0.825 33.339 32.500 0.023 0.000 0.808 314 K HN 0.155 nan 8.250 nan 0.000 0.505 315 I N 0.967 121.538 120.570 0.002 0.000 2.428 315 I HA 0.061 3.382 4.170 -1.413 0.000 0.296 315 I C 1.305 177.400 176.117 -0.036 0.000 0.985 315 I CA 0.118 61.412 61.300 -0.010 0.000 1.260 315 I CB 1.658 39.645 38.000 -0.021 0.000 1.389 315 I HN -0.051 nan 8.210 nan 0.000 0.484 316 S N 3.047 118.724 115.700 -0.040 0.000 2.382 316 S HA -0.170 3.452 4.470 -1.413 0.000 0.228 316 S C 0.383 174.847 174.600 -0.228 0.000 1.027 316 S CA 1.441 59.610 58.200 -0.052 0.000 0.991 316 S CB -0.275 62.934 63.200 0.016 0.000 0.823 316 S HN 0.781 nan 8.310 nan 0.000 0.469 317 H N -0.706 118.099 119.070 -0.442 0.000 3.184 317 H HA 0.433 4.143 4.556 -1.411 0.000 0.317 317 H C -1.807 173.327 175.328 -0.324 0.000 1.065 317 H CA -0.502 55.189 56.048 -0.595 0.000 1.462 317 H CB 0.583 29.511 29.762 -1.390 0.000 2.037 317 H HN -0.094 nan 8.280 nan 0.000 0.431 318 V N 4.255 123.807 119.914 -0.603 0.000 2.370 318 V HA 0.354 3.626 4.120 -1.413 0.000 0.279 318 V C 0.606 176.300 176.094 -0.667 0.000 1.029 318 V CA -0.532 61.497 62.300 -0.451 0.000 0.870 318 V CB 1.299 32.983 31.823 -0.233 0.000 0.984 318 V HN 0.849 nan 8.190 nan 0.000 0.451 319 S N 3.173 118.635 115.700 -0.395 0.000 2.564 319 S HA 0.128 3.749 4.470 -1.413 0.000 0.278 319 S C 1.497 176.101 174.600 0.006 0.000 1.333 319 S CA 0.209 58.338 58.200 -0.119 0.000 1.048 319 S CB 1.179 64.572 63.200 0.322 0.000 0.900 319 S HN 1.032 nan 8.310 nan 0.000 0.505 320 T N 2.830 117.463 114.554 0.131 0.000 2.937 320 T HA 0.144 3.646 4.350 -1.413 0.000 0.260 320 T C 1.876 176.697 174.700 0.201 0.000 1.051 320 T CA 0.799 62.995 62.100 0.160 0.000 1.141 320 T CB -1.213 67.778 68.868 0.204 0.000 0.879 320 T HN 0.730 nan 8.240 nan 0.000 0.459 321 G N 1.785 110.819 108.800 0.390 0.000 2.992 321 G HA2 0.184 3.296 3.960 -1.413 0.000 0.199 321 G HA3 0.184 3.296 3.960 -1.413 0.000 0.199 321 G C 1.196 176.068 174.900 -0.047 0.000 1.380 321 G CA 1.423 46.576 45.100 0.088 0.000 0.776 321 G HN 1.472 nan 8.290 nan 0.000 0.757 322 G N -1.884 106.863 108.800 -0.088 0.000 2.134 322 G HA2 0.114 3.226 3.960 -1.413 0.000 0.225 322 G HA3 0.114 3.226 3.960 -1.413 0.000 0.225 322 G C 1.500 176.272 174.900 -0.213 0.000 1.944 322 G CA 0.924 45.963 45.100 -0.102 0.000 1.512 322 G HN 1.569 nan 8.290 nan 0.000 0.493 323 G N 1.142 109.732 108.800 -0.351 0.000 2.511 323 G HA2 0.389 3.501 3.960 -1.413 0.000 0.217 323 G HA3 0.389 3.501 3.960 -1.413 0.000 0.217 323 G C 1.913 176.284 174.900 -0.881 0.000 1.133 323 G CA 2.506 47.295 45.100 -0.519 0.000 0.792 323 G HN 1.605 nan 8.290 nan 0.000 0.539 324 A N 0.795 122.990 122.820 -1.041 0.000 1.897 324 A HA 0.091 3.563 4.320 -1.413 0.000 0.215 324 A C 2.666 179.944 177.584 -0.510 0.000 1.181 324 A CA 2.022 53.516 52.037 -0.904 0.000 0.620 324 A CB -0.592 17.659 19.000 -1.247 0.000 0.821 324 A HN 0.266 nan 8.150 nan 0.000 0.443 325 S N -0.416 115.070 115.700 -0.355 0.000 2.353 325 S HA -0.169 3.453 4.470 -1.413 0.000 0.222 325 S C 1.910 176.364 174.600 -0.244 0.000 1.035 325 S CA 1.582 59.578 58.200 -0.340 0.000 1.025 325 S CB -0.489 62.613 63.200 -0.162 0.000 0.902 325 S HN 0.501 nan 8.310 nan 0.000 0.440 326 L N 1.871 122.994 121.223 -0.167 0.000 2.043 326 L HA -0.109 3.383 4.340 -1.413 0.000 0.212 326 L C 2.109 178.936 176.870 -0.072 0.000 1.075 326 L CA 1.910 56.699 54.840 -0.084 0.000 0.752 326 L CB -0.643 41.368 42.059 -0.081 0.000 0.891 326 L HN 0.290 nan 8.230 nan 0.000 0.432 327 E N -1.283 118.843 120.200 -0.122 0.000 2.150 327 E HA -0.200 3.302 4.350 -1.413 0.000 0.193 327 E C 2.098 178.681 176.600 -0.027 0.000 0.985 327 E CA 0.756 57.117 56.400 -0.063 0.000 0.814 327 E CB -0.043 29.616 29.700 -0.069 0.000 0.752 327 E HN 0.348 nan 8.360 nan 0.000 0.466 328 L N 0.438 121.627 121.223 -0.056 0.000 2.027 328 L HA -0.158 3.334 4.340 -1.413 0.000 0.206 328 L C 2.063 178.975 176.870 0.070 0.000 1.074 328 L CA 1.500 56.340 54.840 0.000 0.000 0.745 328 L CB -0.493 41.509 42.059 -0.096 0.000 0.898 328 L HN 0.194 nan 8.230 nan 0.000 0.433 329 L N -1.025 120.243 121.223 0.075 0.000 2.083 329 L HA -0.214 3.278 4.340 -1.413 0.000 0.209 329 L C 2.146 179.078 176.870 0.103 0.000 1.083 329 L CA 1.204 56.133 54.840 0.148 0.000 0.752 329 L CB -0.530 41.629 42.059 0.166 0.000 0.899 329 L HN 0.329 nan 8.230 nan 0.000 0.433 330 E N -0.125 120.113 120.200 0.063 0.000 2.482 330 E HA 0.002 3.504 4.350 -1.413 0.000 0.196 330 E C 1.370 178.002 176.600 0.055 0.000 1.047 330 E CA 0.495 56.926 56.400 0.052 0.000 0.869 330 E CB 0.059 29.779 29.700 0.033 0.000 0.836 330 E HN 0.543 nan 8.360 nan 0.000 0.520 331 G N 1.802 110.640 108.800 0.063 0.000 2.143 331 G HA2 -0.251 2.861 3.960 -1.413 0.000 0.248 331 G HA3 -0.251 2.861 3.960 -1.413 0.000 0.248 331 G C 0.060 174.990 174.900 0.050 0.000 0.991 331 G CA 0.060 45.198 45.100 0.064 0.000 0.689 331 G HN -0.025 nan 8.290 nan 0.000 0.522 332 K N 0.460 120.884 120.400 0.039 0.000 2.168 332 K HA 0.468 3.940 4.320 -1.413 0.000 0.258 332 K C 0.484 177.107 176.600 0.039 0.000 1.010 332 K CA -0.571 55.736 56.287 0.034 0.000 0.929 332 K CB 0.696 33.211 32.500 0.026 0.000 0.998 332 K HN 0.224 nan 8.250 nan 0.000 0.479 333 E N 1.746 121.970 120.200 0.040 0.000 2.259 333 E HA 0.172 3.674 4.350 -1.413 0.000 0.281 333 E C -0.334 176.294 176.600 0.046 0.000 1.027 333 E CA -0.466 55.962 56.400 0.048 0.000 0.838 333 E CB 0.690 30.419 29.700 0.049 0.000 1.066 333 E HN 0.335 nan 8.360 nan 0.000 0.401 334 L N 6.526 127.781 121.223 0.054 0.000 2.360 334 L HA 0.115 3.607 4.340 -1.413 0.000 0.276 334 L C -1.421 175.482 176.870 0.056 0.000 1.121 334 L CA -1.586 53.282 54.840 0.046 0.000 0.845 334 L CB 0.519 42.605 42.059 0.043 0.000 1.143 334 L HN 0.276 nan 8.230 nan 0.000 0.452 335 P HA -0.217 nan 4.420 nan 0.000 0.216 335 P C 1.428 178.772 177.300 0.073 0.000 1.167 335 P CA 1.663 64.779 63.100 0.026 0.000 0.914 335 P CB 0.202 31.876 31.700 -0.043 0.000 0.793 336 G N -1.349 107.480 108.800 0.048 0.000 2.471 336 G HA2 -0.155 2.957 3.960 -1.413 0.000 0.219 336 G HA3 -0.155 2.957 3.960 -1.413 0.000 0.219 336 G C 1.483 176.524 174.900 0.234 0.000 1.125 336 G CA 0.490 45.660 45.100 0.116 0.000 0.775 336 G HN 0.200 nan 8.290 nan 0.000 0.548 337 V N 0.844 120.860 119.914 0.170 0.000 2.599 337 V HA 0.108 3.380 4.120 -1.413 0.000 0.245 337 V C 3.095 179.280 176.094 0.152 0.000 1.046 337 V CA 1.463 63.863 62.300 0.167 0.000 1.065 337 V CB -0.194 31.714 31.823 0.141 0.000 0.703 337 V HN 0.388 nan 8.190 nan 0.000 0.464 338 A N -0.704 122.201 122.820 0.141 0.000 2.172 338 A HA -0.145 3.327 4.320 -1.413 0.000 0.216 338 A C 1.970 179.640 177.584 0.143 0.000 1.154 338 A CA 1.238 53.343 52.037 0.113 0.000 0.701 338 A CB -0.629 18.427 19.000 0.095 0.000 0.789 338 A HN 0.555 nan 8.150 nan 0.000 0.465 339 F N 0.198 120.174 119.950 0.045 0.000 2.456 339 F HA 0.222 3.902 4.527 -1.413 0.000 0.298 339 F C 0.929 176.766 175.800 0.062 0.000 1.104 339 F CA 0.032 58.059 58.000 0.046 0.000 1.435 339 F CB -0.109 38.920 39.000 0.050 0.000 1.078 339 F HN 0.068 nan 8.300 nan 0.000 0.546 340 L N -0.215 121.043 121.223 0.058 0.000 2.440 340 L HA 0.099 3.591 4.340 -1.413 0.000 0.184 340 L C 0.570 177.383 176.870 -0.095 0.000 1.111 340 L CA -0.364 54.462 54.840 -0.025 0.000 0.910 340 L CB -0.160 41.946 42.059 0.078 0.000 1.455 340 L HN -0.186 nan 8.230 nan 0.000 0.523 341 S N -0.051 115.615 115.700 -0.057 0.000 2.437 341 S HA 0.246 3.868 4.470 -1.413 0.000 0.305 341 S C -0.915 173.666 174.600 -0.032 0.000 1.109 341 S CA -0.847 57.317 58.200 -0.059 0.000 1.099 341 S CB 1.179 64.342 63.200 -0.062 0.000 1.004 341 S HN 0.582 nan 8.310 nan 0.000 0.475 342 E N 2.646 122.827 120.200 -0.032 0.000 9.156 342 E HA -0.336 3.166 4.350 -1.413 0.000 0.427 342 E C 0.074 176.669 176.600 -0.008 0.000 1.400 342 E CA 0.418 56.807 56.400 -0.019 0.000 2.431 342 E CB -0.337 29.351 29.700 -0.020 0.000 1.056 342 E HN 0.683 nan 8.360 nan 0.000 0.394 343 K N 0.527 120.924 120.400 -0.005 0.000 3.606 343 K HA -0.315 3.157 4.320 -1.413 0.000 0.289 343 K C 0.569 177.173 176.600 0.005 0.000 1.221 343 K CA 2.265 58.552 56.287 -0.001 0.000 1.028 343 K CB -1.000 31.498 32.500 -0.003 0.000 1.299 343 K HN 0.737 nan 8.250 nan 0.000 0.454 344 K N -1.259 119.146 120.400 0.009 0.000 3.557 344 K HA -0.232 3.240 4.320 -1.413 0.000 0.292 344 K C 0.467 177.083 176.600 0.026 0.000 1.167 344 K CA 1.778 58.076 56.287 0.018 0.000 1.048 344 K CB -1.210 31.300 32.500 0.017 0.000 1.368 344 K HN 0.399 nan 8.250 nan 0.000 0.425 345 S N -0.339 115.375 115.700 0.022 0.000 2.652 345 S HA 0.416 4.038 4.470 -1.413 0.000 0.267 345 S C 1.402 176.024 174.600 0.036 0.000 1.201 345 S CA -0.587 57.630 58.200 0.028 0.000 0.996 345 S CB 0.787 63.998 63.200 0.017 0.000 1.054 345 S HN 0.263 nan 8.310 nan 0.000 0.561 346 L N 1.059 122.308 121.223 0.043 0.000 2.071 346 L HA 0.017 3.509 4.340 -1.413 0.000 0.201 346 L C 2.496 179.383 176.870 0.028 0.000 1.076 346 L CA 0.854 55.727 54.840 0.055 0.000 0.755 346 L CB -0.876 41.230 42.059 0.077 0.000 0.915 346 L HN 0.574 nan 8.230 nan 0.000 0.445 347 S N 0.071 115.776 115.700 0.008 0.000 2.528 347 S HA -0.097 3.525 4.470 -1.413 0.000 0.244 347 S C 1.253 175.843 174.600 -0.017 0.000 0.982 347 S CA 0.878 59.066 58.200 -0.020 0.000 0.953 347 S CB -0.452 62.725 63.200 -0.037 0.000 0.754 347 S HN 0.606 nan 8.310 nan 0.000 0.529 348 S N 0.332 116.031 115.700 -0.003 0.000 2.626 348 S HA 0.630 4.252 4.470 -1.413 0.000 0.243 348 S C -0.427 174.174 174.600 0.001 0.000 1.116 348 S CA -0.705 57.493 58.200 -0.004 0.000 1.089 348 S CB 0.377 63.577 63.200 -0.000 0.000 1.180 348 S HN 0.060 nan 8.310 nan 0.000 0.523 349 K N -0.592 119.808 120.400 0.001 0.000 6.403 349 K HA -0.076 3.396 4.320 -1.413 0.000 0.612 349 K C -1.171 175.422 176.600 -0.011 0.000 2.544 349 K CA -0.062 56.225 56.287 0.001 0.000 1.989 349 K CB -1.112 31.398 32.500 0.017 0.000 2.658 349 K HN 0.648 nan 8.250 nan 0.000 0.189 350 L N 1.737 122.949 121.223 -0.018 0.000 2.483 350 L HA 0.236 3.728 4.340 -1.413 0.000 0.275 350 L C 0.771 177.617 176.870 -0.040 0.000 1.220 350 L CA 1.053 55.876 54.840 -0.027 0.000 0.833 350 L CB 0.957 42.998 42.059 -0.031 0.000 1.102 350 L HN 0.667 nan 8.230 nan 0.000 0.490 351 S N 1.655 117.323 115.700 -0.053 0.000 2.634 351 S HA 0.477 4.099 4.470 -1.413 0.000 0.296 351 S C 1.087 175.604 174.600 -0.137 0.000 1.104 351 S CA -0.321 57.822 58.200 -0.095 0.000 0.920 351 S CB 1.303 64.466 63.200 -0.062 0.000 1.111 351 S HN 0.450 nan 8.310 nan 0.000 0.493 352 V N 2.864 122.623 119.914 -0.258 0.000 2.250 352 V HA -0.256 3.016 4.120 -1.413 0.000 0.250 352 V C 2.653 178.663 176.094 -0.139 0.000 1.060 352 V CA 2.207 64.344 62.300 -0.271 0.000 1.030 352 V CB -1.351 30.134 31.823 -0.564 0.000 0.643 352 V HN 0.893 nan 8.190 nan 0.000 0.445 353 Q N -0.149 119.510 119.800 -0.236 0.000 2.248 353 Q HA -0.255 3.237 4.340 -1.413 0.000 0.208 353 Q C 1.941 177.957 176.000 0.027 0.000 0.984 353 Q CA 1.755 57.491 55.803 -0.111 0.000 0.875 353 Q CB -0.370 28.300 28.738 -0.114 0.000 0.910 353 Q HN 0.722 nan 8.270 nan 0.000 0.433 354 D N -0.142 120.253 120.400 -0.007 0.000 2.323 354 D HA 0.055 3.847 4.640 -1.413 0.000 0.209 354 D C 0.549 176.860 176.300 0.018 0.000 0.973 354 D CA 0.474 54.479 54.000 0.009 0.000 0.874 354 D CB 0.259 41.054 40.800 -0.009 0.000 0.930 354 D HN 0.173 nan 8.370 nan 0.000 0.521 355 L N 0.788 122.020 121.223 0.014 0.000 2.360 355 L HA 0.253 3.745 4.340 -1.413 0.000 0.271 355 L C 0.363 177.251 176.870 0.030 0.000 1.057 355 L CA -0.945 53.903 54.840 0.014 0.000 0.803 355 L CB 1.269 43.326 42.059 -0.003 0.000 1.207 355 L HN -0.266 nan 8.230 nan 0.000 0.445 356 D N 1.827 122.244 120.400 0.028 0.000 2.317 356 D HA 0.242 4.034 4.640 -1.413 0.000 0.252 356 D C 0.234 176.548 176.300 0.024 0.000 1.174 356 D CA 0.143 54.166 54.000 0.038 0.000 0.866 356 D CB 1.212 42.033 40.800 0.034 0.000 1.127 356 D HN 0.348 nan 8.370 nan 0.000 0.467 357 L N 2.781 124.021 121.223 0.027 0.000 2.858 357 L HA 0.234 3.726 4.340 -1.413 0.000 0.251 357 L C 1.129 178.014 176.870 0.025 0.000 1.149 357 L CA -0.326 54.519 54.840 0.008 0.000 0.955 357 L CB 0.072 42.114 42.059 -0.028 0.000 1.289 357 L HN 0.161 nan 8.230 nan 0.000 0.542 358 K N 1.116 121.547 120.400 0.052 0.000 2.350 358 K HA 0.027 3.499 4.320 -1.413 0.000 0.279 358 K C -0.063 176.556 176.600 0.032 0.000 1.027 358 K CA 0.197 56.526 56.287 0.071 0.000 0.969 358 K CB 0.461 33.018 32.500 0.095 0.000 0.954 358 K HN 0.007 nan 8.250 nan 0.000 0.474 359 D N 1.325 121.740 120.400 0.025 0.000 3.059 359 D HA -0.169 3.623 4.640 -1.413 0.000 0.220 359 D C -0.900 175.368 176.300 -0.052 0.000 1.169 359 D CA 1.234 55.227 54.000 -0.012 0.000 0.902 359 D CB -0.338 40.458 40.800 -0.006 0.000 1.116 359 D HN 0.402 nan 8.370 nan 0.000 0.417 360 K N 0.286 120.649 120.400 -0.061 0.000 2.138 360 K HA 0.426 3.898 4.320 -1.413 0.000 0.263 360 K C 0.517 176.994 176.600 -0.205 0.000 0.965 360 K CA -0.523 55.707 56.287 -0.096 0.000 0.868 360 K CB 1.065 33.536 32.500 -0.047 0.000 1.083 360 K HN 0.095 nan 8.250 nan 0.000 0.443 361 R N 1.329 121.660 120.500 -0.280 0.000 2.272 361 R HA 0.201 3.693 4.340 -1.413 0.000 0.334 361 R C -0.323 175.884 176.300 -0.154 0.000 1.117 361 R CA -0.377 55.393 56.100 -0.551 0.000 0.966 361 R CB 0.199 30.211 30.300 -0.481 0.000 1.049 361 R HN 0.160 nan 8.270 nan 0.000 0.477 362 V N 5.426 125.293 119.914 -0.079 0.000 2.368 362 V HA 0.149 3.421 4.120 -1.413 0.000 0.266 362 V C -0.264 175.920 176.094 0.149 0.000 1.045 362 V CA -0.481 61.848 62.300 0.049 0.000 0.899 362 V CB 0.325 32.148 31.823 -0.001 0.000 1.006 362 V HN 0.480 nan 8.190 nan 0.000 0.470 363 F N 7.102 127.075 119.950 0.040 0.000 2.410 363 F HA 0.680 4.358 4.527 -1.414 0.000 0.349 363 F C -0.138 175.578 175.800 -0.140 0.000 1.117 363 F CA -0.759 57.262 58.000 0.035 0.000 1.104 363 F CB 0.771 39.848 39.000 0.127 0.000 1.122 363 F HN 0.341 nan 8.300 nan 0.000 0.483 364 I N 6.694 126.988 120.570 -0.459 0.000 2.418 364 I HA 0.366 3.688 4.170 -1.413 0.000 0.287 364 I C -0.393 175.441 176.117 -0.471 0.000 1.008 364 I CA -1.087 59.986 61.300 -0.379 0.000 1.104 364 I CB 1.507 39.337 38.000 -0.283 0.000 1.264 364 I HN 0.376 nan 8.210 nan 0.000 0.438 365 R N 6.307 126.656 120.500 -0.251 0.000 2.248 365 R HA 0.359 3.851 4.340 -1.413 0.000 0.337 365 R C -0.560 175.623 176.300 -0.195 0.000 1.106 365 R CA -0.251 55.787 56.100 -0.104 0.000 0.959 365 R CB 0.437 30.824 30.300 0.146 0.000 1.075 365 R HN 0.605 nan 8.270 nan 0.000 0.480 366 V N 0.118 119.832 119.914 -0.334 0.000 3.336 366 V HA 0.480 3.752 4.120 -1.413 0.000 0.314 366 V C 0.035 175.931 176.094 -0.330 0.000 1.088 366 V CA -0.898 61.155 62.300 -0.412 0.000 1.033 366 V CB 1.671 32.969 31.823 -0.875 0.000 1.181 366 V HN 0.497 nan 8.190 nan 0.000 0.449 367 D N 0.192 120.454 120.400 -0.231 0.000 2.458 367 D HA 0.366 4.158 4.640 -1.413 0.000 0.258 367 D C -0.624 175.756 176.300 0.133 0.000 1.134 367 D CA -0.509 53.444 54.000 -0.078 0.000 0.915 367 D CB 0.219 41.033 40.800 0.024 0.000 1.028 367 D HN 0.400 nan 8.370 nan 0.000 0.508 368 F N 1.703 121.600 119.950 -0.088 0.000 2.837 368 F HA 0.245 3.923 4.527 -1.415 0.000 0.298 368 F C 1.227 176.973 175.800 -0.090 0.000 1.161 368 F CA -0.766 57.195 58.000 -0.064 0.000 1.353 368 F CB -0.710 38.267 39.000 -0.039 0.000 0.951 368 F HN 0.257 nan 8.300 nan 0.000 0.508 369 N N 1.856 120.571 118.700 0.024 0.000 3.243 369 N HA 0.052 3.944 4.740 -1.413 0.000 0.310 369 N C -0.097 175.428 175.510 0.025 0.000 1.313 369 N CA 0.017 53.037 53.050 -0.051 0.000 1.204 369 N CB -0.218 38.135 38.487 -0.222 0.000 1.483 369 N HN 0.066 nan 8.380 nan 0.000 0.553 370 V N -0.234 119.709 119.914 0.048 0.000 2.963 370 V HA 0.477 3.749 4.120 -1.413 0.000 0.306 370 V C -1.931 174.190 176.094 0.044 0.000 1.077 370 V CA -1.497 60.824 62.300 0.035 0.000 1.124 370 V CB 0.310 32.135 31.823 0.002 0.000 0.987 370 V HN 0.276 nan 8.190 nan 0.000 0.487 371 P HA 0.470 nan 4.420 nan 0.000 0.274 371 P C -1.151 176.174 177.300 0.043 0.000 1.231 371 P CA -0.328 62.802 63.100 0.049 0.000 0.790 371 P CB 1.104 32.827 31.700 0.038 0.000 0.951 372 L N 1.351 122.608 121.223 0.056 0.000 2.401 372 L HA 0.584 4.076 4.340 -1.413 0.000 0.266 372 L C 0.208 177.097 176.870 0.032 0.000 0.991 372 L CA -0.219 54.644 54.840 0.039 0.000 0.818 372 L CB 2.331 44.420 42.059 0.050 0.000 1.321 372 L HN 0.288 nan 8.230 nan 0.000 0.413 373 D N 1.937 122.344 120.400 0.012 0.000 3.784 373 D HA 0.307 4.099 4.640 -1.413 0.000 0.261 373 D C 0.134 176.432 176.300 -0.003 0.000 1.391 373 D CA 0.331 54.336 54.000 0.008 0.000 0.797 373 D CB 1.253 42.062 40.800 0.014 0.000 1.391 373 D HN 0.825 nan 8.370 nan 0.000 0.734 374 G N 1.317 110.110 108.800 -0.011 0.000 4.706 374 G HA2 -0.045 3.067 3.960 -1.413 0.000 0.223 374 G HA3 -0.045 3.067 3.960 -1.413 0.000 0.223 374 G C 0.507 175.391 174.900 -0.025 0.000 0.812 374 G CA -0.394 44.696 45.100 -0.017 0.000 1.222 374 G HN 0.128 nan 8.290 nan 0.000 0.732 375 K N -0.564 119.817 120.400 -0.032 0.000 2.948 375 K HA -0.227 3.245 4.320 -1.413 0.000 0.253 375 K C -0.014 176.563 176.600 -0.038 0.000 0.970 375 K CA 1.285 57.546 56.287 -0.043 0.000 0.716 375 K CB -0.563 31.906 32.500 -0.051 0.000 1.249 375 K HN 0.329 nan 8.250 nan 0.000 0.483 376 K N 0.198 120.580 120.400 -0.031 0.000 2.569 376 K HA 0.291 3.763 4.320 -1.413 0.000 0.259 376 K C -0.324 176.260 176.600 -0.027 0.000 0.932 376 K CA -0.734 55.531 56.287 -0.037 0.000 0.833 376 K CB 1.254 33.731 32.500 -0.038 0.000 1.340 376 K HN 0.070 nan 8.250 nan 0.000 0.429 377 I N 2.081 122.630 120.570 -0.034 0.000 3.075 377 I HA -0.215 3.107 4.170 -1.413 0.000 0.320 377 I C 1.679 177.784 176.117 -0.020 0.000 1.211 377 I CA 1.031 62.314 61.300 -0.028 0.000 1.463 377 I CB 0.168 38.137 38.000 -0.052 0.000 1.308 377 I HN 0.699 nan 8.210 nan 0.000 0.553 378 T N -0.370 114.179 114.554 -0.008 0.000 2.985 378 T HA 0.153 3.655 4.350 -1.413 0.000 0.254 378 T C 0.537 175.234 174.700 -0.005 0.000 1.021 378 T CA -0.067 62.030 62.100 -0.004 0.000 0.957 378 T CB 0.379 69.250 68.868 0.005 0.000 1.047 378 T HN 0.524 nan 8.240 nan 0.000 0.511 379 S N 2.661 118.357 115.700 -0.007 0.000 2.446 379 S HA 0.244 3.866 4.470 -1.413 0.000 0.230 379 S C -0.031 174.561 174.600 -0.013 0.000 1.051 379 S CA -0.778 57.419 58.200 -0.006 0.000 1.113 379 S CB 0.237 63.440 63.200 0.005 0.000 1.184 379 S HN 0.409 nan 8.310 nan 0.000 0.435 380 N N 4.372 123.055 118.700 -0.028 0.000 2.421 380 N HA -0.051 3.841 4.740 -1.413 0.000 0.201 380 N C 1.170 176.662 175.510 -0.029 0.000 1.198 380 N CA -0.063 52.958 53.050 -0.049 0.000 0.838 380 N CB 0.071 38.515 38.487 -0.073 0.000 1.011 380 N HN 0.808 nan 8.380 nan 0.000 0.463 381 Q N 1.471 121.269 119.800 -0.004 0.000 2.045 381 Q HA -0.172 3.320 4.340 -1.413 0.000 0.206 381 Q C 1.604 177.626 176.000 0.036 0.000 0.991 381 Q CA 1.596 57.408 55.803 0.015 0.000 0.851 381 Q CB -0.006 28.743 28.738 0.019 0.000 0.911 381 Q HN 0.405 nan 8.270 nan 0.000 0.418 382 R N -0.081 120.449 120.500 0.050 0.000 2.139 382 R HA -0.134 3.358 4.340 -1.413 0.000 0.243 382 R C 2.351 178.739 176.300 0.147 0.000 1.145 382 R CA 1.689 57.849 56.100 0.100 0.000 0.976 382 R CB -0.329 30.036 30.300 0.108 0.000 0.866 382 R HN 0.430 nan 8.270 nan 0.000 0.449 383 I N -0.107 120.487 120.570 0.041 0.000 2.233 383 I HA -0.214 3.108 4.170 -1.413 0.000 0.243 383 I C 2.182 178.311 176.117 0.020 0.000 1.093 383 I CA 0.964 62.215 61.300 -0.081 0.000 1.380 383 I CB -0.340 37.444 38.000 -0.359 0.000 1.067 383 I HN -0.046 nan 8.210 nan 0.000 0.413 384 V N 1.486 121.405 119.914 0.008 0.000 2.287 384 V HA -0.295 2.977 4.120 -1.413 0.000 0.248 384 V C 2.767 178.904 176.094 0.072 0.000 1.053 384 V CA 2.051 64.369 62.300 0.030 0.000 1.027 384 V CB -1.152 30.682 31.823 0.017 0.000 0.646 384 V HN 0.506 nan 8.190 nan 0.000 0.447 385 A N -0.187 122.686 122.820 0.087 0.000 2.070 385 A HA 0.007 3.479 4.320 -1.413 0.000 0.220 385 A C 2.283 179.948 177.584 0.135 0.000 1.159 385 A CA 1.757 53.856 52.037 0.105 0.000 0.656 385 A CB -0.517 18.544 19.000 0.102 0.000 0.800 385 A HN 0.591 nan 8.150 nan 0.000 0.453 386 A N -0.437 122.488 122.820 0.175 0.000 2.072 386 A HA 0.219 3.691 4.320 -1.413 0.000 0.216 386 A C 1.965 179.652 177.584 0.173 0.000 1.156 386 A CA 0.708 52.862 52.037 0.195 0.000 0.701 386 A CB -0.427 18.784 19.000 0.352 0.000 0.816 386 A HN 0.456 nan 8.150 nan 0.000 0.458 387 L N 0.240 121.560 121.223 0.161 0.000 2.013 387 L HA -0.154 3.338 4.340 -1.413 0.000 0.212 387 L C -0.342 176.625 176.870 0.162 0.000 1.073 387 L CA 1.719 56.644 54.840 0.142 0.000 0.753 387 L CB -1.742 40.380 42.059 0.104 0.000 0.890 387 L HN 0.257 nan 8.230 nan 0.000 0.432 388 P HA -0.173 nan 4.420 nan 0.000 0.216 388 P C 1.524 179.076 177.300 0.419 0.000 1.153 388 P CA 1.734 64.998 63.100 0.273 0.000 0.858 388 P CB -0.203 31.649 31.700 0.253 0.000 0.789 389 T N 0.321 115.056 114.554 0.301 0.000 2.701 389 T HA -0.062 3.440 4.350 -1.413 0.000 0.263 389 T C 2.022 176.782 174.700 0.100 0.000 1.040 389 T CA 1.008 63.145 62.100 0.062 0.000 1.147 389 T CB -0.857 67.922 68.868 -0.148 0.000 0.865 389 T HN 0.050 nan 8.240 nan 0.000 0.426 390 I N 1.095 121.720 120.570 0.092 0.000 2.091 390 I HA -0.266 3.056 4.170 -1.413 0.000 0.239 390 I C 2.602 178.783 176.117 0.107 0.000 1.061 390 I CA 1.603 62.951 61.300 0.080 0.000 1.317 390 I CB -0.359 37.702 38.000 0.101 0.000 1.031 390 I HN 0.208 nan 8.210 nan 0.000 0.401 391 K N -0.204 120.281 120.400 0.141 0.000 2.063 391 K HA -0.262 3.210 4.320 -1.413 0.000 0.208 391 K C 2.191 178.897 176.600 0.177 0.000 1.048 391 K CA 1.938 58.308 56.287 0.138 0.000 0.928 391 K CB -0.473 32.110 32.500 0.139 0.000 0.713 391 K HN 0.326 nan 8.250 nan 0.000 0.442 392 Y N 1.441 121.842 120.300 0.169 0.000 2.145 392 Y HA -0.276 3.426 4.550 -1.413 0.000 0.286 392 Y C 2.025 178.012 175.900 0.146 0.000 1.145 392 Y CA 1.296 59.524 58.100 0.213 0.000 1.148 392 Y CB -0.194 38.476 38.460 0.349 0.000 0.981 392 Y HN -0.238 nan 8.280 nan 0.000 0.507 393 V N -0.033 119.891 119.914 0.016 0.000 2.343 393 V HA -0.303 2.969 4.120 -1.413 0.000 0.247 393 V C 2.334 178.406 176.094 -0.037 0.000 1.051 393 V CA 1.540 63.791 62.300 -0.081 0.000 1.036 393 V CB -0.848 30.961 31.823 -0.023 0.000 0.654 393 V HN 0.365 nan 8.190 nan 0.000 0.451 394 L N 0.126 121.352 121.223 0.004 0.000 2.012 394 L HA -0.176 3.315 4.340 -1.413 0.000 0.210 394 L C 2.452 179.276 176.870 -0.076 0.000 1.073 394 L CA 1.771 56.610 54.840 -0.001 0.000 0.748 394 L CB -1.262 40.815 42.059 0.030 0.000 0.891 394 L HN 0.431 nan 8.230 nan 0.000 0.431 395 E N -1.418 118.731 120.200 -0.085 0.000 2.331 395 E HA -0.225 3.277 4.350 -1.413 0.000 0.199 395 E C 1.166 177.391 176.600 -0.626 0.000 1.008 395 E CA 0.879 57.128 56.400 -0.251 0.000 0.843 395 E CB -0.101 29.498 29.700 -0.169 0.000 0.761 395 E HN 0.614 nan 8.360 nan 0.000 0.507 396 H N -1.007 117.760 119.070 -0.505 0.000 2.529 396 H HA 0.151 3.860 4.556 -1.413 0.000 0.277 396 H C -0.714 174.378 175.328 -0.393 0.000 1.004 396 H CA 0.110 55.850 56.048 -0.512 0.000 1.167 396 H CB -0.146 29.372 29.762 -0.408 0.000 1.445 396 H HN 0.215 nan 8.280 nan 0.000 0.554 397 H N -1.303 117.754 119.070 -0.023 0.000 2.827 397 H HA -0.120 3.589 4.556 -1.413 0.000 0.330 397 H C -2.591 172.732 175.328 -0.008 0.000 1.236 397 H CA -0.057 55.981 56.048 -0.017 0.000 1.165 397 H CB -1.363 28.380 29.762 -0.032 0.000 1.532 397 H HN 0.405 nan 8.280 nan 0.000 0.434 398 P HA 0.060 nan 4.420 nan 0.000 0.276 398 P C 0.855 178.152 177.300 -0.005 0.000 1.252 398 P CA -0.534 62.571 63.100 0.009 0.000 0.802 398 P CB 1.252 32.948 31.700 -0.007 0.000 1.035 399 R N 1.039 121.477 120.500 -0.104 0.000 2.120 399 R HA -0.084 3.408 4.340 -1.413 0.000 0.234 399 R C 0.275 176.564 176.300 -0.019 0.000 1.123 399 R CA 1.602 57.629 56.100 -0.122 0.000 0.975 399 R CB -1.068 29.050 30.300 -0.304 0.000 0.866 399 R HN 0.730 nan 8.270 nan 0.000 0.446 400 Y N -6.616 113.710 120.300 0.043 0.000 2.932 400 Y HA 0.387 4.089 4.550 -1.414 0.000 0.384 400 Y C -1.723 174.195 175.900 0.030 0.000 1.193 400 Y CA -1.858 56.264 58.100 0.037 0.000 1.161 400 Y CB 0.574 39.055 38.460 0.036 0.000 1.500 400 Y HN -0.333 nan 8.280 nan 0.000 0.463 401 V N 2.520 122.655 119.914 0.368 0.000 2.357 401 V HA 0.511 3.783 4.120 -1.413 0.000 0.281 401 V C -0.676 175.516 176.094 0.163 0.000 1.015 401 V CA -0.787 61.638 62.300 0.209 0.000 0.827 401 V CB 1.133 33.011 31.823 0.091 0.000 1.018 401 V HN 0.710 nan 8.190 nan 0.000 0.432 402 V N 6.835 126.851 119.914 0.170 0.000 2.498 402 V HA 0.433 3.705 4.120 -1.413 0.000 0.279 402 V C 0.022 175.939 176.094 -0.295 0.000 1.048 402 V CA -0.222 62.057 62.300 -0.034 0.000 0.967 402 V CB 1.486 33.361 31.823 0.086 0.000 0.988 402 V HN 0.592 nan 8.190 nan 0.000 0.473 403 L N 4.718 125.774 121.223 -0.279 0.000 2.346 403 L HA 0.889 4.381 4.340 -1.413 0.000 0.276 403 L C 0.018 176.660 176.870 -0.381 0.000 1.006 403 L CA -0.468 54.149 54.840 -0.373 0.000 0.817 403 L CB 1.811 43.766 42.059 -0.174 0.000 1.272 403 L HN 0.714 nan 8.230 nan 0.000 0.421 404 A N 2.191 124.720 122.820 -0.485 0.000 2.435 404 A HA 0.904 4.376 4.320 -1.413 0.000 0.304 404 A C -0.685 176.810 177.584 -0.148 0.000 1.064 404 A CA -0.448 51.464 52.037 -0.207 0.000 0.727 404 A CB 2.235 21.226 19.000 -0.016 0.000 1.284 404 A HN 0.607 nan 8.150 nan 0.000 0.415 405 S N -0.328 115.359 115.700 -0.021 0.000 2.636 405 S HA 0.581 4.203 4.470 -1.413 0.000 0.266 405 S C -1.502 173.155 174.600 0.095 0.000 1.147 405 S CA -0.540 57.647 58.200 -0.022 0.000 0.815 405 S CB 0.872 63.965 63.200 -0.178 0.000 1.119 405 S HN 1.448 nan 8.310 nan 0.000 0.470 406 H N 1.135 120.237 119.070 0.053 0.000 2.737 406 H HA 0.882 4.589 4.556 -1.415 0.000 0.358 406 H C -1.269 174.082 175.328 0.039 0.000 1.187 406 H CA -0.985 55.085 56.048 0.038 0.000 1.221 406 H CB 1.526 31.313 29.762 0.042 0.000 1.799 406 H HN 0.661 nan 8.280 nan 0.000 0.568 407 L N 0.988 122.290 121.223 0.132 0.000 2.526 407 L HA 0.459 3.951 4.340 -1.413 0.000 0.263 407 L C 0.394 177.285 176.870 0.036 0.000 0.943 407 L CA 0.550 55.440 54.840 0.083 0.000 0.859 407 L CB 1.567 43.684 42.059 0.097 0.000 1.313 407 L HN 1.187 nan 8.230 nan 0.000 0.406 408 G N 4.041 112.848 108.800 0.012 0.000 2.574 408 G HA2 -0.289 2.823 3.960 -1.413 0.000 0.282 408 G HA3 -0.289 2.823 3.960 -1.413 0.000 0.282 408 G C -0.248 174.391 174.900 -0.436 0.000 1.257 408 G CA 0.332 45.264 45.100 -0.281 0.000 0.956 408 G HN 0.782 nan 8.290 nan 0.000 0.560 409 R N 0.618 120.593 120.500 -0.876 0.000 2.547 409 R HA 0.374 3.866 4.340 -1.413 0.000 0.280 409 R C -2.043 173.972 176.300 -0.476 0.000 1.630 409 R CA -1.307 54.511 56.100 -0.471 0.000 1.470 409 R CB 2.030 32.193 30.300 -0.229 0.000 1.178 409 R HN 0.282 nan 8.270 nan 0.000 0.591 410 P HA -0.158 nan 4.420 nan 0.000 0.221 410 P C -0.437 176.908 177.300 0.074 0.000 1.150 410 P CA 0.694 63.867 63.100 0.122 0.000 0.800 410 P CB 0.190 32.122 31.700 0.387 0.000 0.787 411 N N -1.153 117.542 118.700 -0.010 0.000 2.791 411 N HA -0.139 3.753 4.740 -1.413 0.000 0.250 411 N C 0.293 175.787 175.510 -0.028 0.000 1.082 411 N CA 0.012 53.047 53.050 -0.026 0.000 0.680 411 N CB -1.628 36.852 38.487 -0.011 0.000 0.918 411 N HN 0.293 nan 8.380 nan 0.000 0.555 412 G N 1.026 109.806 108.800 -0.034 0.000 2.366 412 G HA2 -0.273 2.839 3.960 -1.413 0.000 0.299 412 G HA3 -0.273 2.839 3.960 -1.413 0.000 0.299 412 G C -0.331 174.527 174.900 -0.070 0.000 1.020 412 G CA 1.554 46.618 45.100 -0.060 0.000 1.026 412 G HN 0.989 nan 8.290 nan 0.000 0.512 413 E N -1.335 118.836 120.200 -0.048 0.000 2.393 413 E HA 0.320 3.822 4.350 -1.413 0.000 0.282 413 E C -0.433 176.040 176.600 -0.211 0.000 1.096 413 E CA -1.131 55.194 56.400 -0.126 0.000 0.866 413 E CB 0.718 30.366 29.700 -0.086 0.000 1.232 413 E HN 0.255 nan 8.360 nan 0.000 0.431 414 R N 2.378 122.611 120.500 -0.444 0.000 2.370 414 R HA 0.392 3.884 4.340 -1.413 0.000 0.309 414 R C -0.175 175.895 176.300 -0.383 0.000 1.059 414 R CA 0.032 55.600 56.100 -0.887 0.000 0.981 414 R CB 0.344 30.188 30.300 -0.760 0.000 0.972 414 R HN 0.402 nan 8.270 nan 0.000 0.437 415 N N 0.000 118.600 118.700 -0.167 0.000 1.763 415 N HA 0.000 3.892 4.740 -1.413 0.000 0.220 415 N CA 0.000 53.099 53.050 0.083 0.000 0.885 415 N CB 0.000 38.587 38.487 0.166 0.000 1.341 415 N HN 0.000 nan 8.380 nan 0.000 0.667